J047-0123 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one

J047-0123 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
J047-0123 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0123
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one

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

J047-0123

Molecular Formula

C23H19BrN4O2S (C23 H19 BrN4 O2 S)

Compound Name

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}-1-(5-bromo-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

C=CCn1c(SCC(N(CC2)c(cc3)c2cc3Br)=O)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C23H19BrN4O2S/c1-2-10-28-22(20-13-16-5-3-4-6-19(16)30-20)25-26-23(28)31-14-21(29)27-11-9-15-12-17(24)7-8-18(15)27/h2-8,12-13H,1,9-11,14H2

InChI Key

KPUBJWXKKITGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09216138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.499

Distribution Coefficient, logD

5.499

Water Solubility, LogSw

-6.56

Polar Surface Area

47.935

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J047-0123 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J047-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J047-0123?
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What is the minimum amount of J047-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0123
  • 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 J047-0123 available by request