J092-0084 Screening compound: 3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

J092-0084 Screening compound: 3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
J092-0084 Screening compound: 3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0084
3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-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

J092-0084

Molecular Formula

C17H14ClNO3 (C17 H14 ClNO3)

Compound Name

3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

IUPAC name

3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-hydroxy-23-dihydro-1H-indol-2-one

SMILES

CC(C(c(cccc1)c1N1)(C1=O)O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H14ClNO3/c1-10(15(20)11-6-8-12(18)9-7-11)17(22)13-4-2-3-5-14(13)19-16(17)21/h2-10,22H,1H3,(H,19,21)

InChI Key

CLQDQNKSWUZURA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02671807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.81

Polar Surface Area

53.842

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.60

J092-0084 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J092-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0084?
Check Price and Availability of J092-0084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J092-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0084
  • 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 J092-0084 available by request