C329-0281 Screening compound: 2-cyclopentyl-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one

C329-0281 Screening compound: 2-cyclopentyl-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one
C329-0281 Screening compound: 2-cyclopentyl-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H,2H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0281
2-cyclopentyl-9-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-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

C329-0281

Molecular Formula

C28H29N5O4 (C28 H29 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cn(c1c2cccc1)c1c2C(C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)=CN(C2CCCC2)C1=O

InChI

InChI=1S/C28H29N5O4/c1-29-24-9-5-4-8-22(24)25-23(18-32(28(35)26(25)29)20-6-2-3-7-20)27(34)31-16-14-30(15-17-31)19-10-12-21(13-11-19)33(36)37/h4-5,8-13,18,20H,2-3,6-7,14-17H2,1H3

InChI Key

PVGDSTHYQRAZKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.22

Polar Surface Area

71.167

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C329-0281 in Drug Discovery

Included in Screening Libraries

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 C329-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0281?
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What is the minimum amount of C329-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0281
  • 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 C329-0281 available by request