J092-0096 Screening compound: 5-fluoro-3-hydroxy-2'-methyl-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one

J092-0096 Screening compound: 5-fluoro-3-hydroxy-2'-methyl-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one
J092-0096 Screening compound: 5-fluoro-3-hydroxy-2'-methyl-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J092-0096
5-fluoro-3-hydroxy-2'-methyl-2,3-dihydro-1H,1'H-[3,3'-biindol]-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

J092-0096

Molecular Formula

C17H13FN2O2 (C17 H13 FN2 O2)

Compound Name

5-fluoro-3-hydroxy-2'-methyl-2,3-dihydro-1H,1'H-[3,3'-biindol]-2-one

IUPAC name

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

SMILES

Cc1c(C(c(cc(cc2)F)c2N2)(C2=O)O)c(cccc2)c2[nH]1

InChI

InChI=1S/C17H13FN2O2/c1-9-15(11-4-2-3-5-13(11)19-9)17(22)12-8-10(18)6-7-14(12)20-16(17)21/h2-8,19,22H,1H3,(H,20,21)/t17-/m0/s1

InChI Key

VHJWBVYFCNKSIT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27224562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.42

Polar Surface Area

50.029

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.76

J092-0096 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with J092-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J092-0096?
Check Price and Availability of J092-0096, 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 J092-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J092-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J092-0096
  • 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 J092-0096 available by request