L829-0062 Screening compound: 5-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

L829-0062 Screening compound: 5-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
L829-0062 Screening compound: 5-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L829-0062
5-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L829-0062

Molecular Formula

C17H17N3OS (C17 H17 N3 OS)

Compound Name

5-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-cyclopentyl-3-[3-(2-methyl-13-thiazol-4-yl)phenyl]-124-oxadiazole

SMILES

Cc1nc(-c2cc(-c3noc(C4CCCC4)n3)ccc2)cs1

InChI

InChI=1S/C17H17N3OS/c1-11-18-15(10-22-11)13-7-4-8-14(9-13)16-19-17(21-20-16)12-5-2-3-6-12/h4,7-10,12H,2-3,5-6H2,1H3

InChI Key

XXLVEIAUMAVNCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.582

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-5.53

Polar Surface Area

41.743

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

L829-0062 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L829-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L829-0062?
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What is the minimum amount of L829-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L829-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L829-0062
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L829-0062 available by request