J021-0343 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(3-chloro-2-methylphenyl)propanamide

J021-0343 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(3-chloro-2-methylphenyl)propanamide
J021-0343 Screening compound: 3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(3-chloro-2-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0343
3-{3-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(3-chloro-2-methylphenyl)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

J021-0343

Molecular Formula

C20H18ClN5O2S (C20 H18 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(CCc1nc(CSc2nc(cccc3)c3[nH]2)no1)=O)ccc1)c1Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-12-13(21)5-4-8-14(12)22-18(27)9-10-19-25-17(26-28-19)11-29-20-23-15-6-2-3-7-16(15)24-20/h2-8H,9-11H2,1H3,(H,22,27)(H,23,24)

InChI Key

NGYRLLVGJLDVKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-4.08

Polar Surface Area

72.765

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J021-0343 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 J021-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0343?
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What is the minimum amount of J021-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0343
  • 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 J021-0343 available by request