J047-0280 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromophenyl)acetamide

J047-0280 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromophenyl)acetamide
J047-0280 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0280
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromophenyl)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

J047-0280

Molecular Formula

C20H17BrN4O2S (C20 H17 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc(cccc2)c2Br)=O)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C20H17BrN4O2S/c1-2-25-19(17-11-13-7-3-6-10-16(13)27-17)23-24-20(25)28-12-18(26)22-15-9-5-4-8-14(15)21/h3-11H,2,12H2,1H3,(H,22,26)

InChI Key

PSPUFWQLVVTNDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.728

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-5.06

Polar Surface Area

54.710

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

J047-0280 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 J047-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0280?
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What is the minimum amount of J047-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0280
  • 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 J047-0280 available by request