C589-0272 Screening compound: 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0272 Screening compound: 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0272 Screening compound: 2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0272
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-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

C589-0272

Molecular Formula

C24H24BrNO (C24 H24 BrNO)

Compound Name

2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

IUPAC name

2-(4-bromophenyl)-1-(34-dimethylphenyl)-66-dimethyl-4567-tetrahydro-1H-indol-4-one

SMILES

CC(C)(Cc1c2cc(-c(cc3)ccc3Br)n1-c1cc(C)c(C)cc1)CC2=O

InChI

InChI=1S/C24H24BrNO/c1-15-5-10-19(11-16(15)2)26-21(17-6-8-18(25)9-7-17)12-20-22(26)13-24(3,4)14-23(20)27/h5-12H,13-14H2,1-4H3

InChI Key

OYKKQXQHAKMAFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00353848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.277

Distribution Coefficient, logD

7.277

Water Solubility, LogSw

-5.62

Polar Surface Area

14.814

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C589-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C589-0272?
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What is the minimum amount of C589-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0272
  • 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 C589-0272 available by request