K788-5044 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

K788-5044 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide
K788-5044 Screening compound: N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5044
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]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

K788-5044

Molecular Formula

C31H34ClN5O (C31 H34 ClN5 O)

Compound Name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[(35-dimethylphenyl)amino]quinoline-4-carboxamide

SMILES

Cc1cc(Nc2nc3ccccc3c(C(NCCCN(CC3)CCN3c3cccc(Cl)c3)=O)c2)cc(C)c1

InChI

InChI=1S/C31H34ClN5O/c1-22-17-23(2)19-25(18-22)34-30-21-28(27-9-3-4-10-29(27)35-30)31(38)33-11-6-12-36-13-15-37(16-14-36)26-8-5-7-24(32)20-26/h3-5,7-10,17-21H,6,11-16H2,1-2H3,(H,33,38)(H,34,35)

InChI Key

JGGDFVZQDKGFLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.1

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.566

Distribution Coefficient, logD

6.022

Water Solubility, LogSw

-6.16

Polar Surface Area

49.546

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

K788-5044 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-5044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5044?
Check Price and Availability of K788-5044, 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 K788-5044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5044
  • 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 K788-5044 available by request