K839-0117 Screening compound: N-[(5-CHLORO-8-HYDROXY-7-QUINOLYL)(3-NITROPHENYL)METHYL]NICOTINAMIDE

K839-0117 Screening compound: N-[(5-CHLORO-8-HYDROXY-7-QUINOLYL)(3-NITROPHENYL)METHYL]NICOTINAMIDE
K839-0117 Screening compound: N-[(5-CHLORO-8-HYDROXY-7-QUINOLYL)(3-NITROPHENYL)METHYL]NICOTINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0117
N-[(5-CHLORO-8-HYDROXY-7-QUINOLYL)(3-NITROPHENYL)METHYL]NICOTINAMIDE

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

K839-0117

Molecular Formula

C22H15ClN4O4 (C22 H15 ClN4 O4)

Compound Name

N-[(5-CHLORO-8-HYDROXY-7-QUINOLYL)(3-NITROPHENYL)METHYL]NICOTINAMIDE

IUPAC name

n/a

SMILES

[O-][N+](c1cccc(C(c(cc(c2cccnc22)Cl)c2O)NC(c2cnccc2)=O)c1)=O

InChI

InChI=1S/C22H15ClN4O4/c23-18-11-17(21(28)20-16(18)7-3-9-25-20)19(13-4-1-6-15(10-13)27(30)31)26-22(29)14-5-2-8-24-12-14/h1-12,19,28H,(H,26,29)/t19-/m0/s1

InChI Key

HQTBWFTVQLAQHH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03704046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.978

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.39

Polar Surface Area

91.644

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

K839-0117 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K839-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0117?
Check Price and Availability of K839-0117, 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 K839-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0117
  • 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 K839-0117 available by request