J021-0081 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(4-fluoro-2-methylphenyl)propanamide

J021-0081 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(4-fluoro-2-methylphenyl)propanamide
J021-0081 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(4-fluoro-2-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0081
3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(4-fluoro-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

J021-0081

Molecular Formula

C20H17FN4O2S2 (C20 H17 FN4 O2 S2)

Compound Name

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

IUPAC name

3-{3-[(13-benzothiazol-2-ylsulfanyl)methyl]-124-oxadiazol-5-yl}-N-(4-fluoro-2-methylphenyl)propanamide

SMILES

Cc(cc(cc1)F)c1NC(CCc1nc(CSc2nc(cccc3)c3s2)no1)=O

InChI

InChI=1S/C20H17FN4O2S2/c1-12-10-13(21)6-7-14(12)22-18(26)8-9-19-24-17(25-27-19)11-28-20-23-15-4-2-3-5-16(15)29-20/h2-7,10H,8-9,11H2,1H3,(H,22,26)

InChI Key

KGFFDZDYSMSXBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24847612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

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

4.450

Distribution Coefficient, logD

4.450

Water Solubility, LogSw

-4.30

Polar Surface Area

63.833

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J021-0081 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0081?
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What is the minimum amount of J021-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0081
  • 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 J021-0081 available by request