J092-0004 Screening compound: 3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-3-hydroxy-5-methoxy-2,3-dihydro-1H-indol-2-one

J092-0004 Screening compound: 3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-3-hydroxy-5-methoxy-2,3-dihydro-1H-indol-2-one
J092-0004 Screening compound: 3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-3-hydroxy-5-methoxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0004
3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-3-hydroxy-5-methoxy-2,3-dihydro-1H-indol-2-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

J092-0004

Molecular Formula

C21H16ClNO5 (C21 H16 ClNO5)

Compound Name

3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-3-hydroxy-5-methoxy-2,3-dihydro-1H-indol-2-one

IUPAC name

3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-3-hydroxy-5-methoxy-23-dihydro-1H-indol-2-one

SMILES

COc(cc1)cc(C2(CC(c3ccc(-c(cc4)ccc4Cl)o3)=O)O)c1NC2=O

InChI

InChI=1S/C21H16ClNO5/c1-27-14-6-7-16-15(10-14)21(26,20(25)23-16)11-17(24)19-9-8-18(28-19)12-2-4-13(22)5-3-12/h2-10,26H,11H2,1H3,(H,23,25)/t21-/m0/s1

InChI Key

LAMKPDWUQIYWKG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15080423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.38

Polar Surface Area

69.761

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

J092-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J092-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0004?
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What is the minimum amount of J092-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0004
  • 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 J092-0004 available by request