C131-0001 Screening compound: (3Z)-5-fluoro-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

C131-0001 Screening compound: (3Z)-5-fluoro-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
C131-0001 Screening compound: (3Z)-5-fluoro-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C131-0001
(3Z)-5-fluoro-3-[(4-methylphenyl)methylidene]-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

C131-0001

Molecular Formula

C16H12FNO (C16 H12 FNO)

Compound Name

(3Z)-5-fluoro-3-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-5-fluoro-3-[(4-methylphenyl)methylidene]-23-dihydro-1H-indol-2-one

SMILES

Cc1ccc(/C=C(/c(cc(cc2)F)c2N2)\C2=O)cc1

InChI

InChI=1S/C16H12FNO/c1-10-2-4-11(5-3-10)8-14-13-9-12(17)6-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)

InChI Key

UABCJBMYUQJNSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.28

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

3.935

Distribution Coefficient, logD

3.935

Water Solubility, LogSw

-3.97

Polar Surface Area

25.210

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C131-0001 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C131-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C131-0001?
Check Price and Availability of C131-0001, 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 C131-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C131-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C131-0001
  • 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 C131-0001 available by request