J092-0085 Screening compound: 3-HYDROXY-3-{2-OXO-2-[3-(1H-PYRROL-1-YL)PHENYL]ETHYL}-1,3-DIHYDRO-2H-INDOL-2-ONE

J092-0085 Screening compound: 3-HYDROXY-3-{2-OXO-2-[3-(1H-PYRROL-1-YL)PHENYL]ETHYL}-1,3-DIHYDRO-2H-INDOL-2-ONE
J092-0085 Screening compound: 3-HYDROXY-3-{2-OXO-2-[3-(1H-PYRROL-1-YL)PHENYL]ETHYL}-1,3-DIHYDRO-2H-INDOL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0085
3-HYDROXY-3-{2-OXO-2-[3-(1H-PYRROL-1-YL)PHENYL]ETHYL}-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

J092-0085

Molecular Formula

C20H16N2O3 (C20 H16 N2 O3)

Compound Name

3-HYDROXY-3-{2-OXO-2-[3-(1H-PYRROL-1-YL)PHENYL]ETHYL}-1,3-DIHYDRO-2H-INDOL-2-ONE

IUPAC name

3-hydroxy-3-{2-oxo-2-[3-(1H-pyrrol-1-yl)phenyl]ethyl}-23-dihydro-1H-indol-2-one

SMILES

OC(CC(c1cc(-n2cccc2)ccc1)=O)(c(cccc1)c1N1)C1=O

InChI

InChI=1S/C20H16N2O3/c23-18(14-6-5-7-15(12-14)22-10-3-4-11-22)13-20(25)16-8-1-2-9-17(16)21-19(20)24/h1-12,25H,13H2,(H,21,24)/t20-/m0/s1

InChI Key

RCMXEOKHVBYRMO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03649368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.65

Polar Surface Area

57.804

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

J092-0085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J092-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0085?
Check Price and Availability of J092-0085, 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 J092-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0085
  • 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 J092-0085 available by request