C329-0576 Screening compound: 2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0576 Screening compound: 2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0576 Screening compound: 2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0576
2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-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

C329-0576

Molecular Formula

C31H38N4O2 (C31 H38 N4 O2)

Compound Name

2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

2-cyclohexyl-N-{3-[ethyl(3-methylphenyl)amino]propyl}-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

CCN(CCCNC(C(c1c2n(C)c3c1cccc3)=CN(C1CCCCC1)C2=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C31H38N4O2/c1-4-34(24-15-10-12-22(2)20-24)19-11-18-32-30(36)26-21-35(23-13-6-5-7-14-23)31(37)29-28(26)25-16-8-9-17-27(25)33(29)3/h8-10,12,15-17,20-21,23H,4-7,11,13-14,18-19H2,1-3H3,(H,32,36)

InChI Key

SOOYOHXQYRGZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-4.90

Polar Surface Area

44.755

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

C329-0576 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0576?
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What is the minimum amount of C329-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0576
  • 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 C329-0576 available by request