C387-1077 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide

C387-1077 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide
C387-1077 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-1077
N-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)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

C387-1077

Molecular Formula

C25H22ClN3O (C25 H22 ClN3 O)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[(24-dimethylphenyl)amino]quinoline-4-carboxamide

SMILES

Cc(cc1)cc(C)c1Nc1nc2ccccc2c(C(NCc(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C25H22ClN3O/c1-16-11-12-22(17(2)13-16)28-24-14-20(19-8-4-6-10-23(19)29-24)25(30)27-15-18-7-3-5-9-21(18)26/h3-14H,15H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

FARJDQLQPITGPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755526

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

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.901

Distribution Coefficient, logD

6.900

Water Solubility, LogSw

-6.29

Polar Surface Area

41.764

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C387-1077 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C387-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-1077?
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What is the minimum amount of C387-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-1077
  • 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 C387-1077 available by request