J047-0043 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide

J047-0043 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide
J047-0043 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0043
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-tert-butyl-2-hydroxyphenyl)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

J047-0043

Molecular Formula

C23H24N4O3S (C23 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)cc(NC(CSc2nnc(-c3cc(cccc4)c4o3)n2C)=O)c1O

InChI

InChI=1S/C23H24N4O3S/c1-23(2,3)15-9-10-17(28)16(12-15)24-20(29)13-31-22-26-25-21(27(22)4)19-11-14-7-5-6-8-18(14)30-19/h5-12,28H,13H2,1-4H3,(H,24,29)

InChI Key

KNRKVUOZFPUZSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09216123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.039

Distribution Coefficient, logD

5.039

Water Solubility, LogSw

-5.03

Polar Surface Area

72.343

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

J047-0043 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J047-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0043?
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What is the minimum amount of J047-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0043
  • 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 J047-0043 available by request