C329-0346 Screening compound: 2-cyclopentyl-N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0346 Screening compound: 2-cyclopentyl-N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0346 Screening compound: 2-cyclopentyl-N-[3-(2-ethylpiperidin-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 C329-0346
2-cyclopentyl-N-[3-(2-ethylpiperidin-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

C329-0346

Molecular Formula

C28H38N4O2 (C28 H38 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC1N(CCCNC(C(c2c3n(C)c4c2cccc4)=CN(C2CCCC2)C3=O)=O)CCCC1

InChI

InChI=1S/C28H38N4O2/c1-3-20-11-8-9-17-31(20)18-10-16-29-27(33)23-19-32(21-12-4-5-13-21)28(34)26-25(23)22-14-6-7-15-24(22)30(26)2/h6-7,14-15,19-21H,3-5,8-13,16-18H2,1-2H3,(H,29,33)/t20-/m0/s1

InChI Key

GLKJWGXWJNOWMR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14749018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

0.531

Water Solubility, LogSw

-3.74

Polar Surface Area

45.926

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

10.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

C329-0346 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0346?
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What is the minimum amount of C329-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0346
  • 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 C329-0346 available by request