C329-0457 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-cyclopentyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0457 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-cyclopentyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0457 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-cyclopentyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0457
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-cyclopentyl-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

C329-0457

Molecular Formula

C31H37N5O2 (C31 H37 N5 O2)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-cyclopentyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-cyclopentyl-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(NCCN2CCN(Cc3ccccc3)CC2)=O)=CN(C2CCCC2)C1=O

InChI

InChI=1S/C31H37N5O2/c1-33-27-14-8-7-13-25(27)28-26(22-36(31(38)29(28)33)24-11-5-6-12-24)30(37)32-15-16-34-17-19-35(20-18-34)21-23-9-3-2-4-10-23/h2-4,7-10,13-14,22,24H,5-6,11-12,15-21H2,1H3,(H,32,37)

InChI Key

OAQQFEOOPGENSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-3.16

Polar Surface Area

49.654

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

C329-0457 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0457?
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What is the minimum amount of C329-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0457
  • 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 C329-0457 available by request