J047-0506 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide

J047-0506 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide
J047-0506 Screening compound: 2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J047-0506
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-chloro-4-(morpholin-4-yl)phenyl]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

J047-0506

Molecular Formula

C24H24ClN5O3S (C24 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc(cc2)cc(Cl)c2N2CCOCC2)=O)nnc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C24H24ClN5O3S/c1-2-30-23(21-13-16-5-3-4-6-20(16)33-21)27-28-24(30)34-15-22(31)26-17-7-8-19(18(25)14-17)29-9-11-32-12-10-29/h3-8,13-14H,2,9-12,15H2,1H3,(H,26,31)

InChI Key

YCWRIPLOVFTLAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09476518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-5.51

Polar Surface Area

66.468

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

J047-0506 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 J047-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J047-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J047-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J047-0506
  • 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 J047-0506 available by request