K839-0056 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide

K839-0056 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
K839-0056 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0056
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide

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

K839-0056

Molecular Formula

C26H22Cl2N2O5 (C26 H22 Cl2 N2 O5)

Compound Name

N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-chlorophenyl)methyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NC(c(cc2)ccc2Cl)c(cc(c2cccnc22)Cl)c2O)=O)cc(OC)c1OC

InChI

InChI=1S/C26H22Cl2N2O5/c1-33-20-11-15(12-21(34-2)25(20)35-3)26(32)30-22(14-6-8-16(27)9-7-14)18-13-19(28)17-5-4-10-29-23(17)24(18)31/h4-13,22,31H,1-3H3,(H,30,32)/t22-/m0/s1

InChI Key

SIUMFUGOFYRJIX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15110526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.571

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.78

Polar Surface Area

71.723

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

K839-0056 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K839-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0056?
Check Price and Availability of K839-0056, 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 K839-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0056
  • 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 K839-0056 available by request