J047-0178 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)acetamide

J047-0178 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)acetamide
J047-0178 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0178
2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-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

J047-0178

Molecular Formula

C26H20N6O3S (C26 H20 N6 O3 S)

Compound Name

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

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)acetamide

SMILES

Cc(cc1)ccc1-n1c(SCC(Nc(cc2)cc(N3)c2NC3=O)=O)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C26H20N6O3S/c1-15-6-9-18(10-7-15)32-24(22-12-16-4-2-3-5-21(16)35-22)30-31-26(32)36-14-23(33)27-17-8-11-19-20(13-17)29-25(34)28-19/h2-13H,14H2,1H3,(H,27,33)(H2,28,29,34)

InChI Key

CIKFPMHQKYIXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

5.005

Water Solubility, LogSw

-5.25

Polar Surface Area

91.882

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

J047-0178 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J047-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J047-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0178
  • 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 J047-0178 available by request