C329-0491 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0491 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0491 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0491
N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-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

C329-0491

Molecular Formula

C26H26ClN3O3 (C26 H26 ClN3 O3)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(Nc(cc(cc2)Cl)c2OC)=O)=CN(C2CCCCC2)C1=O

InChI

InChI=1S/C26H26ClN3O3/c1-29-21-11-7-6-10-18(21)23-19(25(31)28-20-14-16(27)12-13-22(20)33-2)15-30(26(32)24(23)29)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,28,31)

InChI Key

MLJNFBVIPBHBJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-5.07

Polar Surface Area

47.534

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C329-0491 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C329-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0491?
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What is the minimum amount of C329-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0491
  • 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 C329-0491 available by request