C589-0256 Screening compound: 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0256 Screening compound: 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0256 Screening compound: 2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0256
2-(4-bromophenyl)-1-(5-chloro-2-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

C589-0256

Molecular Formula

C23H21BrClNO2 (C23 H21 BrClNO2)

Compound Name

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

IUPAC name

2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)-66-dimethyl-4567-tetrahydro-1H-indol-4-one

SMILES

CC(C)(Cc1c2cc(-c(cc3)ccc3Br)n1-c(cc(cc1)Cl)c1OC)CC2=O

InChI

InChI=1S/C23H21BrClNO2/c1-23(2)12-20-17(21(27)13-23)11-18(14-4-6-15(24)7-5-14)26(20)19-10-16(25)8-9-22(19)28-3/h4-11H,12-13H2,1-3H3

InChI Key

ZVTJKSIDMDWRLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.534

Water Solubility, LogSw

-6.22

Polar Surface Area

22.144

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C589-0256 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 C589-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C589-0256?
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What is the minimum amount of C589-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0256
  • 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 C589-0256 available by request