J021-0999 Screening compound: N-(3-chloro-2-methylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-0999 Screening compound: N-(3-chloro-2-methylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-0999 Screening compound: N-(3-chloro-2-methylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0999
N-(3-chloro-2-methylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

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

J021-0999

Molecular Formula

C22H19ClN4O2S2 (C22 H19 ClN4 O2 S2)

Compound Name

N-(3-chloro-2-methylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

IUPAC name

N-(3-chloro-2-methylphenyl)-3-(3-{[(4-phenyl-13-thiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc(c(NC(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)=O)ccc1)c1Cl

InChI

InChI=1S/C22H19ClN4O2S2/c1-14-16(23)8-5-9-17(14)24-20(28)10-11-21-26-19(27-29-21)13-31-22-25-18(12-30-22)15-6-3-2-4-7-15/h2-9,12H,10-11,13H2,1H3,(H,24,28)

InChI Key

SQALYLORWLQBMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.901

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.90

Polar Surface Area

63.847

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

J021-0999 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 J021-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0999?
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What is the minimum amount of J021-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0999
  • 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 J021-0999 available by request