K839-0133 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]-2-phenoxyacetamide

K839-0133 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]-2-phenoxyacetamide
K839-0133 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0133
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]-2-phenoxyacetamide

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

K839-0133

Molecular Formula

C25H21ClN2O4 (C25 H21 ClN2 O4)

Compound Name

N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-methoxyphenyl)methyl]-2-phenoxyacetamide

IUPAC name

n/a

SMILES

COc1ccc(C(c(cc(c2cccnc22)Cl)c2O)NC(COc2ccccc2)=O)cc1

InChI

InChI=1S/C25H21ClN2O4/c1-31-17-11-9-16(10-12-17)23(28-22(29)15-32-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)/t23-/m0/s1

InChI Key

BPJFUFKLLCAQMG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02640889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.957

Water Solubility, LogSw

-4.83

Polar Surface Area

63.574

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

K839-0133 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Hsp90-Targeted Library (11355 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K839-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0133?
Check Price and Availability of K839-0133, 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 K839-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0133
  • 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 K839-0133 available by request