J092-0029 Screening compound: 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

J092-0029 Screening compound: 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one
J092-0029 Screening compound: 3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0029
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-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

J092-0029

Molecular Formula

C21H23NO3 (C21 H23 NO3)

Compound Name

3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

3-hydroxy-3-[2-oxo-2-(23456-pentamethylphenyl)ethyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1c(C)c(C)c(C(CC(c(cccc2)c2N2)(C2=O)O)=O)c(C)c1C

InChI

InChI=1S/C21H23NO3/c1-11-12(2)14(4)19(15(5)13(11)3)18(23)10-21(25)16-8-6-7-9-17(16)22-20(21)24/h6-9,25H,10H2,1-5H3,(H,22,24)/t21-/m0/s1

InChI Key

SALYLBFMGNFXJS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03836516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

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

4.295

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.47

Polar Surface Area

53.818

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

J092-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J092-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0029?
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What is the minimum amount of J092-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0029
  • 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 J092-0029 available by request