J092-0003 Screening compound: 3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one

J092-0003 Screening compound: 3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one
J092-0003 Screening compound: 3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-5-fluoro-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0003
3-{2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl}-5-fluoro-3-hydroxy-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

J092-0003

Molecular Formula

C20H13ClFNO4 (C20 H13 ClFNO4)

Compound Name

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

IUPAC name

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

SMILES

OC(CC(c1ccc(-c(cc2)ccc2Cl)o1)=O)(c(cc(cc1)F)c1N1)C1=O

InChI

InChI=1S/C20H13ClFNO4/c21-12-3-1-11(2-4-12)17-7-8-18(27-17)16(24)10-20(26)14-9-13(22)5-6-15(14)23-19(20)25/h1-9,26H,10H2,(H,23,25)/t20-/m0/s1

InChI Key

XEMFHWFXWLFASG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15080422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

4.000

Water Solubility, LogSw

-4.44

Polar Surface Area

62.217

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

J092-0003 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J092-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0003?
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What is the minimum amount of J092-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0003
  • 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 J092-0003 available by request