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Compound Management

We offer comprehensive follow-up and dose-response library-plating services for NCATS screening activities, using advanced sample management and liquid-handling instrumentation.

Compound Management Capabilities

The compound management team acquires chemicals for small molecule screening and registers chemical structures into a hybrid commercial/in-house database. Using rigorous storage and retrieval protocols, we prepare chemicals and disperse them into multiple vials and plate types. We evaluate and implement novel technologies and methods and also develop custom software and web development solutions to achieve an efficient workflow.


Compound TypeCompound CollectionNumber of CompoundsIdeal ApplicationDescription
Academic/GovernmentMLSMR350,478Identification of novel modulators of drug targetThe Molecular Libraries Small Molecule Repository (MLSMR) is a chemically diverse collection of small molecules used for probe discovery as part of the now-retired Molecular Libraries Probe Production Centers Network (MLPCN).  

Due to the expansion of NCATS’ compound libraries and the commercial availability of many small molecules from the original NCATS Small Molecule Repository (SMR), NCATS has sunsetted the SMR.
Academic/GovernmentNExT Diversity Libraries84,000+Identification of novel modulators of drug targetThe NExT Diversity Libraries contain chemical scaffolds across 10 commercial suppliers and compounds that were selected to fall within the boundaries of drug-like chemical space (e.g., Lipinski's rule of five, high QED scores).
CommercialAssorted collections1,000+Assay validation, identification of control compoundsCommercially available chemical libraries are available to help validate HTS-amenable assays and identify potential small molecule controls. These libraries contain a number of privileged scaffolds and are often biased toward known bioactivity and polypharmacology.
NCATS exclusiveGenesis100,000+Identification of novel modulators of drug targetNCATS has assembled the Genesis collection to provide a novel modern chemical library that emphasizes high-quality chemical starting points, sp3-enriched chemotypes, and core scaffolds that enable rapid purchase and derivatization via medicinal chemistry.
NCATS exclusiveSytravon44,000Identification of novel modulators of drug targetThe Sytravon library is a retired Pharma screening collection that contains a diversity of novel small molecules, with an emphasis on medicinal chemistry-tractable scaffolds.
NCATS exclusiveNPACT11,000+Characterization of target/pathway biologyThe NCATS Pharmacologically Active Chemical Toolbox (NPACT) is a library of annotated compounds that inform on novel phenotypes, biological pathways and cellular processes. There are more than 7,000 mechanisms and phenotypes identified in the literature and worldwide patents that cover biological interactions within mammalian, microbial, plant and other model systems.
NCATS exclusiveNPC2,400Drug repurposingThe NCATS Pharmaceutical Collection (NPC) is a library of all compounds that have been approved for use by the Food and Drug Administration, along with a number of approved molecules from related agencies in foreign countries.

Related Research

Analytical Chemistry

Our analytical chemistry experts and state-of-the-art lab support early-stage chemical development by
analyzing and purifying small molecules and other compounds.


The automation experts at NCATS are responsible for the maintenance, operation and continuous
improvement of a full range of laboratory instrumentation and processes.


The informatics team works with scientists to make sense of data from large experiments to inform decisions that advance translational research.

Last updated on April 19, 2024