C329-0585 Screening compound: 2-cyclohexyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0585 Screening compound: 2-cyclohexyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0585 Screening compound: 2-cyclohexyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0585
2-cyclohexyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-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

C329-0585

Molecular Formula

C28H39N5O2 (C28 H39 N5 O2)

Compound Name

2-cyclohexyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

2-cyclohexyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

CCN1CCN(CCCNC(C(c2c3n(C)c4c2cccc4)=CN(C2CCCCC2)C3=O)=O)CC1

InChI

InChI=1S/C28H39N5O2/c1-3-31-16-18-32(19-17-31)15-9-14-29-27(34)23-20-33(21-10-5-4-6-11-21)28(35)26-25(23)22-12-7-8-13-24(22)30(26)2/h7-8,12-13,20-21H,3-6,9-11,14-19H2,1-2H3,(H,29,34)

InChI Key

DVURXDOFPGXDKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-2.69

Polar Surface Area

49.285

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

C329-0585 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0585?
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What is the minimum amount of C329-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0585
  • 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 C329-0585 available by request