K839-0121 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-2-phenoxyacetamide

K839-0121 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-2-phenoxyacetamide
K839-0121 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0121
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)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

K839-0121

Molecular Formula

C24H18ClN3O5 (C24 H18 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(C(c(cc(c2cccnc22)Cl)c2O)NC(COc2ccccc2)=O)cc1)=O

InChI

InChI=1S/C24H18ClN3O5/c25-20-13-19(24(30)23-18(20)7-4-12-26-23)22(15-8-10-16(11-9-15)28(31)32)27-21(29)14-33-17-5-2-1-3-6-17/h1-13,22,30H,14H2,(H,27,29)/t22-/m0/s1

InChI Key

QIYPSJBTWQBWJK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02640855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.86

Polar Surface Area

89.412

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

K839-0121 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

DGK Inhibitors Library (10558 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with K839-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0121?
Check Price and Availability of K839-0121, 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 K839-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0121
  • 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 K839-0121 available by request