C329-0561 Screening compound: 2-cyclohexyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one

C329-0561 Screening compound: 2-cyclohexyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one
C329-0561 Screening compound: 2-cyclohexyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0561
2-cyclohexyl-4-[4-(4-methoxyphenyl)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

C329-0561

Molecular Formula

C30H34N4O3 (C30 H34 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCN2c(cc2)ccc2OC)=O)=CN(C2CCCCC2)C1=O

InChI

InChI=1S/C30H34N4O3/c1-31-26-11-7-6-10-24(26)27-25(20-34(30(36)28(27)31)22-8-4-3-5-9-22)29(35)33-18-16-32(17-19-33)21-12-14-23(37-2)15-13-21/h6-7,10-15,20,22H,3-5,8-9,16-19H2,1-2H3

InChI Key

BAHJOXJUQVVIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.36

Polar Surface Area

44.963

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C329-0561 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C329-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0561?
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What is the minimum amount of C329-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0561
  • 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 C329-0561 available by request