C589-0080 Screening compound: 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one

C589-0080 Screening compound: 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one
C589-0080 Screening compound: 1-[(4-methoxyphenyl)methyl]-6,6-dimethyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C589-0080
1-[(4-methoxyphenyl)methyl]-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

C589-0080

Molecular Formula

C25H27NO2 (C25 H27 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(Cc1c2cc(-c3ccc(C)cc3)n1Cc(cc1)ccc1OC)CC2=O

InChI

InChI=1S/C25H27NO2/c1-17-5-9-19(10-6-17)22-13-21-23(14-25(2,3)15-24(21)27)26(22)16-18-7-11-20(28-4)12-8-18/h5-13H,14-16H2,1-4H3

InChI Key

GHJZGNYAYWXHSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.49

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

5.953

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-5.53

Polar Surface Area

21.615

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C589-0080 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C589-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C589-0080?
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What is the minimum amount of C589-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C589-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C589-0080
  • 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 C589-0080 available by request