K839-0123 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-3-methoxybenzamide

K839-0123 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-3-methoxybenzamide
K839-0123 Screening compound: N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0123
N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-3-methoxybenzamide

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

K839-0123

Molecular Formula

C24H18ClN3O5 (C24 H18 ClN3 O5)

Compound Name

N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-3-methoxybenzamide

IUPAC name

N-[(5-chloro-8-hydroxyquinolin-7-yl)(4-nitrophenyl)methyl]-3-methoxybenzamide

SMILES

COc1cccc(C(NC(c(cc2)ccc2[N+]([O-])=O)c(cc(c2cccnc22)Cl)c2O)=O)c1

InChI

InChI=1S/C24H18ClN3O5/c1-33-17-5-2-4-15(12-17)24(30)27-21(14-7-9-16(10-8-14)28(31)32)19-13-20(25)18-6-3-11-26-22(18)23(19)29/h2-13,21,29H,1H3,(H,27,30)/t21-/m0/s1

InChI Key

OSOUPEXCMPMVNV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02639833

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-5.49

Polar Surface Area

89.670

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

K839-0123 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K839-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0123?
Check Price and Availability of K839-0123, 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 K839-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0123
  • 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 K839-0123 available by request