C131-0005 Screening compound: (3Z)-3-[(4-tert-butylphenyl)methylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one

C131-0005 Screening compound: (3Z)-3-[(4-tert-butylphenyl)methylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one
C131-0005 Screening compound: (3Z)-3-[(4-tert-butylphenyl)methylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C131-0005
(3Z)-3-[(4-tert-butylphenyl)methylidene]-5-fluoro-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

C131-0005

Molecular Formula

C19H18FNO (C19 H18 FNO)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(/C=C(/c(cc(cc2)F)c2N2)\C2=O)cc1

InChI

InChI=1S/C19H18FNO/c1-19(2,3)13-6-4-12(5-7-13)10-16-15-11-14(20)8-9-17(15)21-18(16)22/h4-11H,1-3H3,(H,21,22)

InChI Key

ZUEFOAHOTYBBLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.40

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

21.10

C131-0005 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C131-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C131-0005?
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What is the minimum amount of C131-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C131-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C131-0005
  • 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 C131-0005 available by request