C589-0089 Screening compound: 1-(2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0089 Screening compound: 1-(2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0089 Screening compound: 1-(2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0089
1-(2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-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

C589-0089

Molecular Formula

C25H27NO3 (C25 H27 NO3)

Compound Name

1-(2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one

IUPAC name

1-(24-dimethoxyphenyl)-66-dimethyl-2-(4-methylphenyl)-4567-tetrahydro-1H-indol-4-one

SMILES

CC(C)(Cc1c2cc(-c3ccc(C)cc3)n1-c(ccc(OC)c1)c1OC)CC2=O

InChI

InChI=1S/C25H27NO3/c1-16-6-8-17(9-7-16)21-13-19-22(14-25(2,3)15-23(19)27)26(21)20-11-10-18(28-4)12-24(20)29-5/h6-13H,14-15H2,1-5H3

InChI Key

SEMKRUBNDRTHSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.767

Distribution Coefficient, logD

5.767

Water Solubility, LogSw

-5.48

Polar Surface Area

29.688

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C589-0089 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C589-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C589-0089?
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What is the minimum amount of C589-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0089
  • 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 C589-0089 available by request