C387-0841 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

C387-0841 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide
C387-0841 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0841
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-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

C387-0841

Molecular Formula

C25H22ClN3O (C25 H22 ClN3 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

SMILES

Cc(cccc1)c1Nc1nc2ccccc2c(C(NCCc(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C25H22ClN3O/c1-17-6-2-4-8-22(17)28-24-16-21(20-7-3-5-9-23(20)29-24)25(30)27-15-14-18-10-12-19(26)13-11-18/h2-13,16H,14-15H2,1H3,(H,27,30)(H,28,29)

InChI Key

IRPJXGFZNVHTMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.960

Distribution Coefficient, logD

5.959

Water Solubility, LogSw

-6.01

Polar Surface Area

41.606

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C387-0841 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C387-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0841?
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What is the minimum amount of C387-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0841
  • 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 C387-0841 available by request