J047-0146 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

J047-0146 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
J047-0146 Screening compound: 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 J047-0146
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

J047-0146

Molecular Formula

C18H14N4O2S (C18 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(CSc1nnc(-c2cc(cccc3)c3o2)n1-c1ccccc1)=O

InChI

InChI=1S/C18H14N4O2S/c19-16(23)11-25-18-21-20-17(22(18)13-7-2-1-3-8-13)15-10-12-6-4-5-9-14(12)24-15/h1-10H,11H2,(H2,19,23)

InChI Key

HLZHICYKZBXDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05998835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.47

Polar Surface Area

66.665

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

J047-0146 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J047-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0146?
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What is the minimum amount of J047-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0146
  • 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 J047-0146 available by request