K788-7041 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-4-yl)quinoline-4-carboxamide

K788-7041 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
K788-7041 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-4-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7041
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-4-yl)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

K788-7041

Molecular Formula

C29H30N4O6S (C29 H30 N4 O6 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-4-yl)quinoline-4-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES

COc(ccc(CCNC(c1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2nc(-c2ccncc2)c1)=O)c1)c1OC

InChI

InChI=1S/C29H30N4O6S/c1-37-27-6-3-20(17-28(27)38-2)7-12-31-29(34)24-19-26(21-8-10-30-11-9-21)32-25-5-4-22(18-23(24)25)40(35,36)33-13-15-39-16-14-33/h3-6,8-11,17-19H,7,12-16H2,1-2H3,(H,31,34)

InChI Key

JMLRJTDEIQTOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-3.31

Polar Surface Area

96.861

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

K788-7041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 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
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with K788-7041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7041?
Check Price and Availability of K788-7041, 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 K788-7041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7041
  • 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 K788-7041 available by request