K788-5882 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

K788-5882 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
K788-5882 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5882
N-{3-[benzyl(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

K788-5882

Molecular Formula

C28H30N4O2 (C28 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(CCCNC(c1cc(Nc(cc2)ccc2OC)nc2ccccc12)=O)Cc1ccccc1

InChI

InChI=1S/C28H30N4O2/c1-32(20-21-9-4-3-5-10-21)18-8-17-29-28(33)25-19-27(31-26-12-7-6-11-24(25)26)30-22-13-15-23(34-2)16-14-22/h3-7,9-16,19H,8,17-18,20H2,1-2H3,(H,29,33)(H,30,31)

InChI Key

WHTLSVDCIQYGCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.237

Distribution Coefficient, logD

3.796

Water Solubility, LogSw

-5.28

Polar Surface Area

53.941

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K788-5882 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-5882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5882?
Check Price and Availability of K788-5882, 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 K788-5882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5882
  • 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 K788-5882 available by request