C329-0466 Screening compound: 2-cyclopentyl-9-methyl-N-[2-(3-methylphenyl)ethyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0466 Screening compound: 2-cyclopentyl-9-methyl-N-[2-(3-methylphenyl)ethyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0466 Screening compound: 2-cyclopentyl-9-methyl-N-[2-(3-methylphenyl)ethyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0466
2-cyclopentyl-9-methyl-N-[2-(3-methylphenyl)ethyl]-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

C329-0466

Molecular Formula

C27H29N3O2 (C27 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CCNC(C(c2c3n(C)c4c2cccc4)=CN(C2CCCC2)C3=O)=O)c1

InChI

InChI=1S/C27H29N3O2/c1-18-8-7-9-19(16-18)14-15-28-26(31)22-17-30(20-10-3-4-11-20)27(32)25-24(22)21-12-5-6-13-23(21)29(25)2/h5-9,12-13,16-17,20H,3-4,10-11,14-15H2,1-2H3,(H,28,31)

InChI Key

JOMKHXISJCQMQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.29

Polar Surface Area

42.131

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C329-0466 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C329-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0466?
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What is the minimum amount of C329-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0466
  • 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 C329-0466 available by request