C131-0054 Screening compound: (3Z)-5-chloro-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one

C131-0054 Screening compound: (3Z)-5-chloro-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one
C131-0054 Screening compound: (3Z)-5-chloro-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C131-0054
(3Z)-5-chloro-3-(phenylmethylidene)-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

C131-0054

Molecular Formula

C15H10ClNO (C15 H10 ClNO)

Compound Name

(3Z)-5-chloro-3-(phenylmethylidene)-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-5-chloro-3-(phenylmethylidene)-23-dihydro-1H-indol-2-one

SMILES

O=C1Nc(ccc(Cl)c2)c2/C1=C/c1ccccc1

InChI

InChI=1S/C15H10ClNO/c16-11-6-7-14-12(9-11)13(15(18)17-14)8-10-4-2-1-3-5-10/h1-9H,(H,17,18)

InChI Key

OYBAVSWCSXNSMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03481604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.7

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.48

Polar Surface Area

25.210

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C131-0054 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C131-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C131-0054?
Check Price and Availability of C131-0054, 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 C131-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C131-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C131-0054
  • 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 C131-0054 available by request