J047-0012 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

J047-0012 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
J047-0012 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0012
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]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

J047-0012

Molecular Formula

C23H19N5O2S2 (C23 H19 N5 O2 S2)

Compound Name

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

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}-N-[4-(4-methylphenyl)-13-thiazol-2-yl]acetamide

SMILES

Cc(cc1)ccc1-c1csc(NC(CSc2nnc(-c3cc(cccc4)c4o3)n2C)=O)n1

InChI

InChI=1S/C23H19N5O2S2/c1-14-7-9-15(10-8-14)17-12-31-22(24-17)25-20(29)13-32-23-27-26-21(28(23)2)19-11-16-5-3-4-6-18(16)30-19/h3-12H,13H2,1-2H3,(H,24,25,29)

InChI Key

CSUPTFSMYYUOKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.792

Distribution Coefficient, logD

5.792

Water Solubility, LogSw

-6.23

Polar Surface Area

66.268

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

J047-0012 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J047-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0012?
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What is the minimum amount of J047-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0012
  • 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 J047-0012 available by request