J021-0990 Screening compound: N-(4-chlorophenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-0990 Screening compound: N-(4-chlorophenyl)-3-(3-{[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-0990 Screening compound: N-(4-chlorophenyl)-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 J021-0990
N-(4-chlorophenyl)-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

J021-0990

Molecular Formula

C21H17ClN4O2S2 (C21 H17 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C21H17ClN4O2S2/c22-15-6-8-16(9-7-15)23-19(27)10-11-20-25-18(26-28-20)13-30-21-24-17(12-29-21)14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,23,27)

InChI Key

ZCTIKVYKPIQJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.98

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

5.688

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-6.06

Polar Surface Area

64.545

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with J021-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0990?
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What is the minimum amount of J021-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0990
  • 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 J021-0990 available by request