C329-0645 Screening compound: 2-cyclohexyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one

C329-0645 Screening compound: 2-cyclohexyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one
C329-0645 Screening compound: 2-cyclohexyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0645
2-cyclohexyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-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

C329-0645

Molecular Formula

C31H36N4O2 (C31 H36 N4 O2)

Compound Name

2-cyclohexyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one

IUPAC name

2-cyclohexyl-4-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H2H9H-pyrido[34-b]indol-1-one

SMILES

Cc1cccc(N(CC2)CCN2C(C(c2c3n(C)c4c2cccc4)=CN(C2CCCCC2)C3=O)=O)c1C

InChI

InChI=1S/C31H36N4O2/c1-21-10-9-15-26(22(21)2)33-16-18-34(19-17-33)30(36)25-20-35(23-11-5-4-6-12-23)31(37)29-28(25)24-13-7-8-14-27(24)32(29)3/h7-10,13-15,20,23H,4-6,11-12,16-19H2,1-3H3

InChI Key

FRMBNJLCXKUHHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.50

Polar Surface Area

37.118

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

C329-0645 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0645?
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What is the minimum amount of C329-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0645
  • 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 C329-0645 available by request