C329-0403 Screening compound: 2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0403 Screening compound: 2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0403 Screening compound: 2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0403
2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-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

C329-0403

Molecular Formula

C26H27N3O3 (C26 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn(c1c2cccc1)c1c2C(C(NCc(cc2)ccc2OC)=O)=CN(C2CCCC2)C1=O

InChI

InChI=1S/C26H27N3O3/c1-28-22-10-6-5-9-20(22)23-21(16-29(26(31)24(23)28)18-7-3-4-8-18)25(30)27-15-17-11-13-19(32-2)14-12-17/h5-6,9-14,16,18H,3-4,7-8,15H2,1-2H3,(H,27,30)

InChI Key

RHFVSQZBNAIRJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.70

Polar Surface Area

49.834

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C329-0403 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C329-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0403?
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What is the minimum amount of C329-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0403
  • 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 C329-0403 available by request