C237-2194 Screening compound: 4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H,2H,9H-pyrido[3,4-b]indol-1-one

C237-2194 Screening compound: 4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H,2H,9H-pyrido[3,4-b]indol-1-one
C237-2194 Screening compound: 4-[4-(2,5-dimethylphenyl)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 C237-2194
4-[4-(2,5-dimethylphenyl)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

C237-2194

Molecular Formula

C29H34N4O2 (C29 H34 N4 O2)

Compound Name

4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H,2H,9H-pyrido[3,4-b]indol-1-one

IUPAC name

4-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-2-(2-methylpropyl)-1H2H9H-pyrido[34-b]indol-1-one

SMILES

CC(C)CN(C=C(C(N(CC1)CCN1c1c(C)ccc(C)c1)=O)c1c2n(C)c3c1cccc3)C2=O

InChI

InChI=1S/C29H34N4O2/c1-19(2)17-33-18-23(26-22-8-6-7-9-24(22)30(5)27(26)29(33)35)28(34)32-14-12-31(13-15-32)25-16-20(3)10-11-21(25)4/h6-11,16,18-19H,12-15,17H2,1-5H3

InChI Key

ZXUARFDERDRHLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.61

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

4.808

Distribution Coefficient, logD

4.808

Water Solubility, LogSw

-4.90

Polar Surface Area

38.003

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

C237-2194 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C237-2194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-2194?
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What is the minimum amount of C237-2194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-2194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-2194
  • 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 C237-2194 available by request