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Prediction to Preclinical

Chemistry Tools to Accelerate Drug Discovery​

Chemistry in Drug Discovery

Drug discovery chemistry is an interdisciplinary field combining synthetic chemistry, organic chemistry, computational chemistry, medicinal chemistry, and analytical chemistry in drug discovery. In recent years, combinatorial chemistry and high-throughput screening have made compound design and synthesis for lead discovery significantly more efficient. In addition, computer-aided drug design (CADD) for structure-based and ligand-based drug design has drastically reduced the time and costs involved in discovery chemistry.

We understand the challenges and risks involved in small molecule drug discovery from prediction to preclinical. Whether exploring the chemical space, rapidly analyzing large chemical compound libraries or retrosynthetic planning for hit identification, to lead optimization and compound synthesis, to final testing and quality control, we support all stages of the drug discovery workflow.  

Discover our comprehensive range of core chemical products and sustainable alternative, innovative technologies, and digital solutions designed to help you navigate the complexity of developing new drug candidates.

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Explore Our Chemistry Solutions for Drug Discovery

Lead Discovery

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Find small molecule hits that interact favorably with protein targets

Reaction Design

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Design & optimize chemical reactions to synthesize selected molecules with our advanced tools

Chemical Synthesis

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Explore our broad selection of products and enabling technologies for chemical synthesis

Purification & Analysis

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Browse an extensive range of high-quality products for purifying and analyzing your molecules
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Buchwald G6 precatalysts are oxidative addition complexes that are thermally, air, and moisture stable. The catalyst activation doesn’t require a base and generates innocuous byproducts.
Fluorinated Azides: Click Chemistry Meets Fluorine
Fluorinated azides are a new tool that can be used to introduce fluorinated groups to molecules. These molecules can utilize click chemistry to easily add fluorinated groups.
Fragment-Based DNA-Encoded Library for Drug Discovery
Unprecedented access to large library drug discovery, Dynamic Library technology offers more reliable results than classical DEL approaches, library members selected for MedChem relevance, high chemical diversity, suitable for a number of targets
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    Professor Product Portal

    Learn from renowned scientists and how we are collaborating to commercialize their recent discoveries.

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    Drug Discovery Chemistry News

    Subscribe to our quarterly e-newsletter to be informed about our new product offerings, technical articles, webinars, posters, and publications relevant to drug discovery.

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Brochure: DyNAbind®

Learn more about DNA-encoded libraries (DEL) developed by our partner DyNAbind that allows simultaneous screening of compounds for effective hit and lead discovery.

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Learn about common C–H functionalization reactions to predict where and how to apply them and further explore the field.

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Related Applications
Lead Discovery
Lead discovery or lead identification for drug discovery utilizes screening methods, such as high throughput screening (HTS) or DNA Encoded Library (DEL) screening, to identify lead compounds.
Reaction Design & Optimization
Chemical reaction design and optimization in organic synthesis aims to precisely alter reaction parameters to achieve optimum results in finding pathways to target molecules.
Synthetic Methods
Explore our building blocks for cross-coupling, fluorination, metathesis, C-H functionalization, and photocatalysis for a complete organic reaction toolbox for small molecule synthesis methods.
Targeted Protein Degradation
Targeted protein degradation (TPD) is an emerging drug discovery strategy that uses small-molecules, such as proteolysis-targeting chimeras (PROTACs), to eradicate targeted proteins linked to disease from cells.
ADC & Bioconjugation
Bioconjugation involves ligating molecules together in which at least one of the reactants is a biomolecule, often an antibody, protein, or oligonucleotide, for detection, assay, or targeting and tracking of the biomolecule.
Peptide Synthesis
Peptide synthesis involves the formation of a peptide bond between two amino acids to create a peptide composed of a chain of multiple amino acids.
Small Molecules Analysis & Quality Control (QC)
Small molecules analysis and quality control (QC) compliant with international pharmacopoeia specifications is critical in drug development. Analytical chemistry and microbial testing ensure small molecules are developed and manufactured with Good Manufacturing Practice (GMP).
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The LANEXO® System is a revolutionary digital solution designed to create efficiencies, improve safety, and facilitate compliance in highly regulated analytical and research laboratories.
Training & Education
Pharmaceutical and biopharmaceutical manufacturers can enhance their skill sets with practical, hands-on training courses in-person or streamed live from our M Lab™ Collaboration Centers.
Calculators & Apps
Web Toolbox - science research tools and resources for analytical chemistry, life science, chemical synthesis and materials science.
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Chemical Biology
Our market-leading, chemical biology products provide expert and simple solutions for bioconjugation, as well as biomolcule and peptide synthesis.
Biochemicals
We offer a large selection of competatively priced, high-quality biochemicals, including buffers, detergents, agarose, lipids, antibiotics, metabolites, vitamins, and coenzymes.

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External Resources

ACS Catalysis:It Is Not All about the Ligands: Exploring the Hidden Potentials of tBu3P through Its Oxidative Addition Complex as the Precatalyst
Learn more about a series of oxidative addition complexes with a general formula (tBu3P)Pd(Ar)X, as a class of precatalysts for challenging coupling reactions.

Organometallics: Convenient One-Pot Synthesis of L2Pd(0) Complexes for CrossCoupling Catalysis
Learn about two new methods to produce L2Pd(0) catalysts including (tBu3P)2Pd(0) precatalyst in excellent yield and purity.

Chemical Reviews: Emerging Trends in Cross-Coupling: Twelve-Electron-Based L1Pd(0) Catalysts, Their Mechanism of Action, and Selected Applications
Explore the development of various emerging technologies for generating L1Pd(0) catalysts, wherein L is a tertiary phosphine or NHC ligand.

ACS Catalysis: The Resurrection of Murahashi Coupling after Four Decades
Gain a comprehensive update on the renaissance of Murahashi coupling in conjunction with the development of appropriate reaction conditions.

ACS Catalysis: Tunable Unsymmetrical Ferrocene Ligands Bearing a Bulky Di-1-adamantylphosphino Motif for Many Kinds of Csp2–Csp3 Couplings
Read about the synthesis of MPhos ligands, and their corresponding (MPhos)PdCl2 pre-catalysts applicable in for Csp2–Csp3 couplings.

 

ACS Catalysis: Design and Application of a Screening Set for Monophosphine Ligands in Cross-Coupling
Explore a tool set developed to aid the search of optimal catalysts in the context of phosphine ligands.

Journal of Organometallic Chemistry: DOZN™ 2.0: A quantitative green chemistry evaluator for a sustainable future
Learn about DOZN™ 2.0, a unique web-based greener alternative scoring matrix, also known as a quantitative green chemistry evaluator.

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