J047-0332 Screening compound: N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

J047-0332 Screening compound: N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
J047-0332 Screening compound: N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0332
N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

J047-0332

Molecular Formula

C26H20N4O3S (C26 H20 N4 O3 S)

Compound Name

N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-(4-acetylphenyl)-2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

CC(c(cc1)ccc1NC(CSc1nnc(-c2cc(cccc3)c3o2)n1-c1ccccc1)=O)=O

InChI

InChI=1S/C26H20N4O3S/c1-17(31)18-11-13-20(14-12-18)27-24(32)16-34-26-29-28-25(30(26)21-8-3-2-4-9-21)23-15-19-7-5-6-10-22(19)33-23/h2-15H,16H2,1H3,(H,27,32)

InChI Key

WKRXDOMLLCSDDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-5.16

Polar Surface Area

69.981

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with J047-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0332?
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What is the minimum amount of J047-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0332
  • 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 J047-0332 available by request