C237-0748 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H,2H,9H-pyrido[3,4-b]indol-1-one

C237-0748 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H,2H,9H-pyrido[3,4-b]indol-1-one
C237-0748 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H,2H,9H-pyrido[3,4-b]indol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C237-0748
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-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

C237-0748

Molecular Formula

C27H29ClN4O2 (C27 H29 ClN4 O2)

Compound Name

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

IUPAC name

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H2H9H-pyrido[34-b]indol-1-one

SMILES

CC(C)CN(C=C(C(N(CC1)CCN1c1cccc(Cl)c1)=O)c1c2n(C)c3c1cccc3)C2=O

InChI

InChI=1S/C27H29ClN4O2/c1-18(2)16-32-17-22(24-21-9-4-5-10-23(21)29(3)25(24)27(32)34)26(33)31-13-11-30(12-14-31)20-8-6-7-19(28)15-20/h4-10,15,17-18H,11-14,16H2,1-3H3

InChI Key

NNYHMIKCKKTUGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.75

Polar Surface Area

38.303

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C237-0748 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C237-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-0748?
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What is the minimum amount of C237-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-0748
  • 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 C237-0748 available by request