J021-3213 Screening compound: N-(3,4-dimethylphenyl)-3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide

J021-3213 Screening compound: N-(3,4-dimethylphenyl)-3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
J021-3213 Screening compound: N-(3,4-dimethylphenyl)-3-(3-{[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-3213
N-(3,4-dimethylphenyl)-3-(3-{[(5-methyl-1H-1,3-benzodiazol-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

J021-3213

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-3-(3-{[(5-methyl-1H-13-benzodiazol-2-yl)sulfanyl]methyl}-124-oxadiazol-5-yl)propanamide

SMILES

Cc(cc1)cc2c1[nH]c(SCc1noc(CCC(Nc3cc(C)c(C)cc3)=O)n1)n2

InChI

InChI=1S/C22H23N5O2S/c1-13-4-7-17-18(10-13)25-22(24-17)30-12-19-26-21(29-27-19)9-8-20(28)23-16-6-5-14(2)15(3)11-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,28)(H,24,25)

InChI Key

GXQGWJGSLUJYAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

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

4.532

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.25

Polar Surface Area

73.463

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J021-3213 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-3213 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J021-3213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-3213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-3213
  • 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 J021-3213 available by request