Diversity · 10,000 compounds

MS-10000 Diversity Library

A 10,000-compound high-purity diversity library of largely Lipinski-compliant, lead-like screening compounds from TimTec stock.

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TimTec MS-10000 is a 10,000-compound high-purity diversity library of drug-like screening compounds from TimTec stock. Selection emphasizes structural diversity and physical-chemical filters (MW, cLogP, H-acceptors/donors, rotatable bonds), with a largely Lipinski-compliant, lead-like profile suitable for general screening. DMSO plating is available.

The molecular-weight range is 120–500. The collection is largely drug-like according to Lipinski’s Rule of 5 and also includes lead-like material, leaving room for molecular optimization. Overly represented chemotypes and structures poorly suited for medicinal chemistry follow-up were removed during refinement.

Format and purity

MS-10000 is offered in DMSO plating formats. In addition to 1 mg/mL, a 10 mM concentration option is described on the legacy TimTec pages. Average purity is greater than 95%, with nothing below 90%. Re-supply from stock or re-synthesis is available for follow-up. Structural data and pricing are provided on request.

Published screens

Literature reports, not TimTec efficacy claims:

  • Delgado-Soler, L.; Toral, R.; Tomás, M. S.; Rubio-Martinez, J. RED: A set of molecular descriptors based on Rényi entropy. J. Chem. Inf. Model. 2009, 49(11), 2457–2468. doi:10.1021/ci900275w. Cheminformatics / virtual-screen use of the collection descriptors.
  • Barrow, E. W.; Clinkenbeard, P. A.; et al. High-throughput screening of a diversity collection using biodefense category A and B priority pathogens. J. Biomol. Screen. 2012, 17(7), 946–956. doi:10.1177/1087057112448216. 10,000-compound diversity collection against NIAID category A/B pathogens.
  • Bustad, H. J.; Toska, K.; Schmitt, C.; et al. A pharmacological chaperone therapy for acute intermittent porphyria. Mol. Ther. 2020. doi:10.1016/j.ymthe.2019.11.010. Methods name a 10,000-compound drug-like diversity collection.
  • Vittorio, S.; Adornato, I.; Gitto, R.; Peña-Díaz, S.; Ventura, S.; De Luca, L. Rational design of small molecules able to inhibit α-synuclein amyloid aggregation for the treatment of Parkinson’s disease. J. Enzyme Inhib. Med. Chem. 2020. doi:10.1080/14756366.2020.1816999. Virtual screen of a 10,000-compound diversity library.

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