C237-2239 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C237-2239 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C237-2239 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C237-2239
N-[2-(4-benzylpiperazin-1-yl)ethyl]-9-methyl-2-(2-methylpropyl)-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

C237-2239

Molecular Formula

C30H37N5O2 (C30 H37 N5 O2)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-9-methyl-2-(2-methylpropyl)-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

CC(C)CN(C=C(C(NCCN1CCN(Cc2ccccc2)CC1)=O)c1c2n(C)c3c1cccc3)C2=O

InChI

InChI=1S/C30H37N5O2/c1-22(2)19-35-21-25(27-24-11-7-8-12-26(24)32(3)28(27)30(35)37)29(36)31-13-14-33-15-17-34(18-16-33)20-23-9-5-4-6-10-23/h4-12,21-22H,13-20H2,1-3H3,(H,31,36)

InChI Key

XFNGNRIDSDTDRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.857

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-3.19

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C237-2239 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 C237-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-2239?
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What is the minimum amount of C237-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-2239
  • 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 C237-2239 available by request