K839-0021 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide

K839-0021 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
K839-0021 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0021
N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide

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

K839-0021

Molecular Formula

C21H21N3O6 (C21 H21 N3 O6)

Compound Name

N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide

IUPAC name

N-[(34-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide

SMILES

CCC(NC(c(cc1)cc(OC)c1OC)c(cc(c1cccnc11)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C21H21N3O6/c1-4-18(25)23-19(12-7-8-16(29-2)17(10-12)30-3)14-11-15(24(27)28)13-6-5-9-22-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,23,25)/t19-/m0/s1

InChI Key

FHRHOKRUBBUHET-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02732945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.799

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-3.21

Polar Surface Area

97.144

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

K839-0021 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

DGK Inhibitors Library (10558 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 K839-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0021?
Check Price and Availability of K839-0021, 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 K839-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0021
  • 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 K839-0021 available by request