C387-0191 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

C387-0191 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
C387-0191 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0191
N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)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

C387-0191

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

SMILES

CN(CCCNC(c1cc(Nc(cc2)ccc2OC)nc2ccccc12)=O)C1CCCCC1

InChI

InChI=1S/C27H34N4O2/c1-31(21-9-4-3-5-10-21)18-8-17-28-27(32)24-19-26(30-25-12-7-6-11-23(24)25)29-20-13-15-22(33-2)16-14-20/h6-7,11-16,19,21H,3-5,8-10,17-18H2,1-2H3,(H,28,32)(H,29,30)

InChI Key

FSRSCAYXXWHWIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-5.56

Polar Surface Area

52.885

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C387-0191 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with C387-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0191?
Check Price and Availability of C387-0191, 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 C387-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0191
  • 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 C387-0191 available by request