C387-1322 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

C387-1322 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide
C387-1322 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-1322
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-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

C387-1322

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[(35-dimethylphenyl)amino]quinoline-4-carboxamide

SMILES

Cc1cc(Nc2nc3ccccc3c(C(NCCc(cc3)cc(OC)c3OC)=O)c2)cc(C)c1

InChI

InChI=1S/C28H29N3O3/c1-18-13-19(2)15-21(14-18)30-27-17-23(22-7-5-6-8-24(22)31-27)28(32)29-12-11-20-9-10-25(33-3)26(16-20)34-4/h5-10,13-17H,11-12H2,1-4H3,(H,29,32)(H,30,31)

InChI Key

KKDYBKWXWGJSHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.507

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.62

Polar Surface Area

57.564

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C387-1322 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C387-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-1322?
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What is the minimum amount of C387-1322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-1322
  • 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 C387-1322 available by request