C131-0002 Screening compound: (3Z)-5-fluoro-3-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

C131-0002 Screening compound: (3Z)-5-fluoro-3-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
C131-0002 Screening compound: (3Z)-5-fluoro-3-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C131-0002
(3Z)-5-fluoro-3-[(4-methoxyphenyl)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

C131-0002

Molecular Formula

C16H12FNO2 (C16 H12 FNO2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(/C=C(/c(cc(cc2)F)c2N2)\C2=O)cc1

InChI

InChI=1S/C16H12FNO2/c1-20-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,1H3,(H,18,19)

InChI Key

NCORKUCKOYYSTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-3.79

Polar Surface Area

32.754

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C131-0002 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C131-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C131-0002?
Check Price and Availability of C131-0002, 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 C131-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C131-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C131-0002
  • 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 C131-0002 available by request