J021-0463 Screening compound: 3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

J021-0463 Screening compound: 3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
J021-0463 Screening compound: 3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0463
3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-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

J021-0463

Molecular Formula

C24H22N6O2S2 (C24 H22 N6 O2 S2)

Compound Name

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

IUPAC name

3-(3-{[(5-methyl-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)-N-[4-(4-methylphenyl)-13-thiazol-2-yl]propanamide

SMILES

Cc(cc1)ccc1-c1csc(NC(CCc2nc(CSc3nc(cc(C)cc4)c4[nH]3)no2)=O)n1

InChI

InChI=1S/C24H22N6O2S2/c1-14-3-6-16(7-4-14)19-12-33-24(27-19)29-21(31)9-10-22-28-20(30-32-22)13-34-23-25-17-8-5-15(2)11-18(17)26-23/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,26)(H,27,29,31)

InChI Key

WDICVWUKIIGMGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.486

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-5.28

Polar Surface Area

83.238

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

J021-0463 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J021-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0463?
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What is the minimum amount of J021-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0463
  • 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 J021-0463 available by request