J092-0094 Screening compound: 5-ethyl-3-hydroxy-3-(1H-indol-3-yl)-1,3-dihydro-2H-indol-2-one

J092-0094 Screening compound: 5-ethyl-3-hydroxy-3-(1H-indol-3-yl)-1,3-dihydro-2H-indol-2-one
J092-0094 Screening compound: 5-ethyl-3-hydroxy-3-(1H-indol-3-yl)-1,3-dihydro-2H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0094
5-ethyl-3-hydroxy-3-(1H-indol-3-yl)-1,3-dihydro-2H-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

J092-0094

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

5-ethyl-3-hydroxy-3-(1H-indol-3-yl)-1,3-dihydro-2H-indol-2-one

IUPAC name

5-ethyl-3-hydroxy-23-dihydro-1H1'H-[33'-biindol]-2-one

SMILES

CCc(cc1)cc(C2(c3c[nH]c4c3cccc4)O)c1NC2=O

InChI

InChI=1S/C18H16N2O2/c1-2-11-7-8-16-13(9-11)18(22,17(21)20-16)14-10-19-15-6-4-3-5-12(14)15/h3-10,19,22H,2H2,1H3,(H,20,21)/t18-/m1/s1

InChI Key

WJDNDIGCYISUAZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06635747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.69

Polar Surface Area

49.974

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

J092-0094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J092-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0094?
Check Price and Availability of J092-0094, 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 J092-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0094
  • 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 J092-0094 available by request