J057-0964 Screening compound: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

J057-0964 Screening compound: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide
J057-0964 Screening compound: 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J057-0964
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

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

J057-0964

Molecular Formula

C20H17N3O3S2 (C20 H17 N3 O3 S2)

Compound Name

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

3-[5-(4-methylphenyl)-134-oxadiazol-2-yl]-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1-c1nnc(-c2cccc(S(NCc3cccs3)(=O)=O)c2)o1

InChI

InChI=1S/C20H17N3O3S2/c1-14-7-9-15(10-8-14)19-22-23-20(26-19)16-4-2-6-18(12-16)28(24,25)21-13-17-5-3-11-27-17/h2-12,21H,13H2,1H3

InChI Key

GOCRBIXNWXTDBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.30

Polar Surface Area

73.259

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

J057-0964 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with J057-0964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J057-0964?
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What is the minimum amount of J057-0964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J057-0964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J057-0964
  • 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 J057-0964 available by request