C329-0543 Screening compound: 2-cyclohexyl-N-(4-ethoxyphenyl)-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0543 Screening compound: 2-cyclohexyl-N-(4-ethoxyphenyl)-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0543 Screening compound: 2-cyclohexyl-N-(4-ethoxyphenyl)-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0543
2-cyclohexyl-N-(4-ethoxyphenyl)-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

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

C329-0543

Molecular Formula

C27H29N3O3 (C27 H29 N3 O3)

Compound Name

2-cyclohexyl-N-(4-ethoxyphenyl)-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

2-cyclohexyl-N-(4-ethoxyphenyl)-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

CCOc(cc1)ccc1NC(C(c1c2n(C)c3c1cccc3)=CN(C1CCCCC1)C2=O)=O

InChI

InChI=1S/C27H29N3O3/c1-3-33-20-15-13-18(14-16-20)28-26(31)22-17-30(19-9-5-4-6-10-19)27(32)25-24(22)21-11-7-8-12-23(21)29(25)2/h7-8,11-17,19H,3-6,9-10H2,1-2H3,(H,28,31)

InChI Key

GKPOUGMXMCVMGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.63

Polar Surface Area

47.725

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C329-0543 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C329-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0543?
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What is the minimum amount of C329-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0543
  • 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 C329-0543 available by request