C329-0290 Screening compound: 2-cyclopentyl-N-[(4-fluorophenyl)methyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0290 Screening compound: 2-cyclopentyl-N-[(4-fluorophenyl)methyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0290 Screening compound: 2-cyclopentyl-N-[(4-fluorophenyl)methyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0290
2-cyclopentyl-N-[(4-fluorophenyl)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

C329-0290

Molecular Formula

C25H24FN3O2 (C25 H24 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn(c1c2cccc1)c1c2C(C(NCc(cc2)ccc2F)=O)=CN(C2CCCC2)C1=O

InChI

InChI=1S/C25H24FN3O2/c1-28-21-9-5-4-8-19(21)22-20(24(30)27-14-16-10-12-17(26)13-11-16)15-29(25(31)23(22)28)18-6-2-3-7-18/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,27,30)

InChI Key

BHZIOYODVQVLOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.92

Polar Surface Area

42.290

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C329-0290 in Drug Discovery

Included in Screening Libraries

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

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 C329-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0290?
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What is the minimum amount of C329-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0290
  • 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 C329-0290 available by request