C387-1383 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

C387-1383 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide
C387-1383 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-1383
N-{3-[benzyl(butyl)amino]propyl}-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

C387-1383

Molecular Formula

C32H38N4O (C32 H38 N4 O)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-2-[(35-dimethylphenyl)amino]quinoline-4-carboxamide

SMILES

CCCCN(CCCNC(c1cc(Nc2cc(C)cc(C)c2)nc2ccccc12)=O)Cc1ccccc1

InChI

InChI=1S/C32H38N4O/c1-4-5-17-36(23-26-12-7-6-8-13-26)18-11-16-33-32(37)29-22-31(35-30-15-10-9-14-28(29)30)34-27-20-24(2)19-25(3)21-27/h6-10,12-15,19-22H,4-5,11,16-18,23H2,1-3H3,(H,33,37)(H,34,35)

InChI Key

DRQWXCPCMBKSFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.369

Distribution Coefficient, logD

5.807

Water Solubility, LogSw

-5.76

Polar Surface Area

46.244

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C387-1383 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C387-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-1383?
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What is the minimum amount of C387-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-1383
  • 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 C387-1383 available by request