C589-0172 Screening compound: 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0172 Screening compound: 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0172 Screening compound: 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0172
1-(4-ethoxyphenyl)-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

C589-0172

Molecular Formula

C25H27NO3 (C25 H27 NO3)

Compound Name

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

IUPAC name

1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-66-dimethyl-4567-tetrahydro-1H-indol-4-one

SMILES

CCOc(cc1)ccc1-n1c(-c(cc2)ccc2OC)cc2c1CC(C)(C)CC2=O

InChI

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

InChI Key

FTESSFVPYQSFQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773104

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.693

Distribution Coefficient, logD

5.693

Water Solubility, LogSw

-5.50

Polar Surface Area

29.482

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C589-0172 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 C589-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C589-0172?
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What is the minimum amount of C589-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0172
  • 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 C589-0172 available by request