C329-0311 Screening compound: 4-(4-BENZYLPIPERAZINE-1-CARBONYL)-2-CYCLOPENTYL-9-METHYL-1H,2H,9H-PYRIDO[3,4-B]INDOL-1-ONE

C329-0311 Screening compound: 4-(4-BENZYLPIPERAZINE-1-CARBONYL)-2-CYCLOPENTYL-9-METHYL-1H,2H,9H-PYRIDO[3,4-B]INDOL-1-ONE
C329-0311 Screening compound: 4-(4-BENZYLPIPERAZINE-1-CARBONYL)-2-CYCLOPENTYL-9-METHYL-1H,2H,9H-PYRIDO[3,4-B]INDOL-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0311
4-(4-BENZYLPIPERAZINE-1-CARBONYL)-2-CYCLOPENTYL-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

C329-0311

Molecular Formula

C29H32N4O2 (C29 H32 N4 O2)

Compound Name

4-(4-BENZYLPIPERAZINE-1-CARBONYL)-2-CYCLOPENTYL-9-METHYL-1H,2H,9H-PYRIDO[3,4-B]INDOL-1-ONE

IUPAC name

n/a

SMILES

Cn(c1c2cccc1)c1c2C(C(N2CCN(Cc3ccccc3)CC2)=O)=CN(C2CCCC2)C1=O

InChI

InChI=1S/C29H32N4O2/c1-30-25-14-8-7-13-23(25)26-24(20-33(29(35)27(26)30)22-11-5-6-12-22)28(34)32-17-15-31(16-18-32)19-21-9-3-2-4-10-21/h2-4,7-10,13-14,20,22H,5-6,11-12,15-19H2,1H3

InChI Key

YSDPQEIZWPQXCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.56

Polar Surface Area

38.065

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

C329-0311 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C329-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0311?
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What is the minimum amount of C329-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0311
  • 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 C329-0311 available by request