J021-0001 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide

J021-0001 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide
J021-0001 Screening compound: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J021-0001
3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-phenylpropanamide

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

J021-0001

Molecular Formula

C19H16N4O2S2 (C19 H16 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc1nc(CSc2nc(cccc3)c3s2)no1)Nc1ccccc1

InChI

InChI=1S/C19H16N4O2S2/c24-17(20-13-6-2-1-3-7-13)10-11-18-22-16(23-25-18)12-26-19-21-14-8-4-5-9-15(14)27-19/h1-9H,10-12H2,(H,20,24)

InChI Key

KVULIXWXXLQNJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

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

4.239

Distribution Coefficient, logD

4.239

Water Solubility, LogSw

-4.33

Polar Surface Area

64.531

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J021-0001 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with J021-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J021-0001?
Check Price and Availability of J021-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J021-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J021-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J021-0001
  • 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 J021-0001 available by request