J021-0017 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,3-dimethylphenyl)propanamide

J021-0017 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,3-dimethylphenyl)propanamide
J021-0017 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,3-dimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0017
3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,3-dimethylphenyl)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

J021-0017

Molecular Formula

C21H20N4O2S2 (C21 H20 N4 O2 S2)

Compound Name

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(2,3-dimethylphenyl)propanamide

IUPAC name

3-{3-[(13-benzothiazol-2-ylsulfanyl)methyl]-124-oxadiazol-5-yl}-N-(23-dimethylphenyl)propanamide

SMILES

Cc1cccc(NC(CCc2nc(CSc3nc(cccc4)c4s3)no2)=O)c1C

InChI

InChI=1S/C21H20N4O2S2/c1-13-6-5-8-15(14(13)2)22-19(26)10-11-20-24-18(25-27-20)12-28-21-23-16-7-3-4-9-17(16)29-21/h3-9H,10-12H2,1-2H3,(H,22,26)

InChI Key

QVCOYRDZMQQOMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-4.53

Polar Surface Area

63.833

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J021-0017 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 J021-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0017?
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What is the minimum amount of J021-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0017
  • 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 J021-0017 available by request