J021-1040 Screening compound: N-(2,5-dimethylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-1040 Screening compound: N-(2,5-dimethylphenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-1040 Screening compound: N-(2,5-dimethylphenyl)-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 J021-1040
N-(2,5-dimethylphenyl)-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

J021-1040

Molecular Formula

C23H22N4O2S2 (C23 H22 N4 O2 S2)

Compound Name

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

IUPAC name

N-(25-dimethylphenyl)-3-(3-{[(4-phenyl-13-thiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc1cc(NC(CCc2nc(CSc3nc(-c4ccccc4)cs3)no2)=O)c(C)cc1

InChI

InChI=1S/C23H22N4O2S2/c1-15-8-9-16(2)18(12-15)24-21(28)10-11-22-26-20(27-29-22)14-31-23-25-19(13-30-23)17-6-4-3-5-7-17/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,28)

InChI Key

MBADYFZLPFSGJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.59

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

5.135

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-4.90

Polar Surface Area

63.847

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J021-1040 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J021-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-1040?
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What is the minimum amount of J021-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-1040
  • 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 J021-1040 available by request