J047-0217 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

J047-0217 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
J047-0217 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0217
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)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

J047-0217

Molecular Formula

C21H20N4O2S (C21 H20 N4 O2 S)

Compound Name

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

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc2nnc(-c3cc(cccc4)c4o3)n2C)=O)cc(C)c1

InChI

InChI=1S/C21H20N4O2S/c1-13-8-14(2)10-16(9-13)22-19(26)12-28-21-24-23-20(25(21)3)18-11-15-6-4-5-7-17(15)27-18/h4-11H,12H2,1-3H3,(H,22,26)

InChI Key

YHGCWBDFSXUKNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04376698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

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

4.544

Distribution Coefficient, logD

4.544

Water Solubility, LogSw

-4.70

Polar Surface Area

56.493

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J047-0217 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J047-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0217?
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What is the minimum amount of J047-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0217
  • 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 J047-0217 available by request