C589-0197 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0197 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0197 Screening compound: 1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0197
1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-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

C589-0197

Molecular Formula

C24H24FNO2 (C24 H24 FNO2)

Compound Name

1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

IUPAC name

1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-66-dimethyl-4567-tetrahydro-1H-indol-4-one

SMILES

CC(C)(Cc1c2cc(-c(cc3)ccc3OC)n1Cc(cc1)ccc1F)CC2=O

InChI

InChI=1S/C24H24FNO2/c1-24(2)13-22-20(23(27)14-24)12-21(17-6-10-19(28-3)11-7-17)26(22)15-16-4-8-18(25)9-5-16/h4-12H,13-15H2,1-3H3

InChI Key

ZDUQGKCKLTWUEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-5.47

Polar Surface Area

21.615

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C589-0197 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 C589-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C589-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0197
  • 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 C589-0197 available by request