C329-0509 Screening compound: 2-cyclohexyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one

C329-0509 Screening compound: 2-cyclohexyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one
C329-0509 Screening compound: 2-cyclohexyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0509
2-cyclohexyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one

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

C329-0509

Molecular Formula

C29H31FN4O2 (C29 H31 FN4 O2)

Compound Name

2-cyclohexyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one

IUPAC name

2-cyclohexyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-9-methyl-1H2H9H-pyrido[34-b]indol-1-one

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCN2c(cccc2)c2F)=O)=CN(C2CCCCC2)C1=O

InChI

InChI=1S/C29H31FN4O2/c1-31-24-13-7-5-11-21(24)26-22(19-34(29(36)27(26)31)20-9-3-2-4-10-20)28(35)33-17-15-32(16-18-33)25-14-8-6-12-23(25)30/h5-8,11-14,19-20H,2-4,9-10,15-18H2,1H3

InChI Key

NZWAPWIOZDHLHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.41

Polar Surface Area

37.118

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

C329-0509 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0509?
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What is the minimum amount of C329-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0509
  • 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 C329-0509 available by request