J047-0014 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide

J047-0014 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
J047-0014 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0014
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)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

J047-0014

Molecular Formula

C19H15ClN4O2S (C19 H15 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(Nc2cccc(Cl)c2)=O)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C19H15ClN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)

InChI Key

OMTRXAKTQPDICN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04398407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.67

Polar Surface Area

56.493

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

J047-0014 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J047-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0014?
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What is the minimum amount of J047-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0014
  • 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 J047-0014 available by request