C329-0344 Screening compound: N-[3-(azepan-1-yl)propyl]-2-cyclopentyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0344 Screening compound: N-[3-(azepan-1-yl)propyl]-2-cyclopentyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0344 Screening compound: N-[3-(azepan-1-yl)propyl]-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 C329-0344
N-[3-(azepan-1-yl)propyl]-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

C329-0344

Molecular Formula

C27H36N4O2 (C27 H36 N4 O2)

Compound Name

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

IUPAC name

N-[3-(azepan-1-yl)propyl]-2-cyclopentyl-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(NCCCN2CCCCCC2)=O)=CN(C2CCCC2)C1=O

InChI

InChI=1S/C27H36N4O2/c1-29-23-14-7-6-13-21(23)24-22(19-31(27(33)25(24)29)20-11-4-5-12-20)26(32)28-15-10-18-30-16-8-2-3-9-17-30/h6-7,13-14,19-20H,2-5,8-12,15-18H2,1H3,(H,28,32)

InChI Key

KNDYCHSAUAHUEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

0.608

Water Solubility, LogSw

-3.26

Polar Surface Area

46.445

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C329-0344 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C329-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0344?
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What is the minimum amount of C329-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0344
  • 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 C329-0344 available by request