C387-0075 Screening compound: N-{3-[butyl(phenyl)amino]propyl}-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide

C387-0075 Screening compound: N-{3-[butyl(phenyl)amino]propyl}-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide
C387-0075 Screening compound: N-{3-[butyl(phenyl)amino]propyl}-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0075
N-{3-[butyl(phenyl)amino]propyl}-2-[(3,4-dimethoxyphenyl)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

C387-0075

Molecular Formula

C31H36N4O3 (C31 H36 N4 O3)

Compound Name

N-{3-[butyl(phenyl)amino]propyl}-2-[(3,4-dimethoxyphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-{3-[butyl(phenyl)amino]propyl}-2-[(34-dimethoxyphenyl)amino]quinoline-4-carboxamide

SMILES

CCCCN(CCCNC(c1cc(Nc(cc2)cc(OC)c2OC)nc2ccccc12)=O)c1ccccc1

InChI

InChI=1S/C31H36N4O3/c1-4-5-19-35(24-12-7-6-8-13-24)20-11-18-32-31(36)26-22-30(34-27-15-10-9-14-25(26)27)33-23-16-17-28(37-2)29(21-23)38-3/h6-10,12-17,21-22H,4-5,11,18-20H2,1-3H3,(H,32,36)(H,33,34)

InChI Key

KZVOKADOECDCNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.519

Distribution Coefficient, logD

6.493

Water Solubility, LogSw

-5.89

Polar Surface Area

60.808

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C387-0075 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C387-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0075?
Check Price and Availability of C387-0075, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C387-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0075
  • 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 C387-0075 available by request