K839-0060 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-3,4,5-trimethoxybenzamide

K839-0060 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-3,4,5-trimethoxybenzamide
K839-0060 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0060
N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-3,4,5-trimethoxybenzamide

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

K839-0060

Molecular Formula

C28H27N3O9 (C28 H27 N3 O9)

Compound Name

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

IUPAC name

N-[(34-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-345-trimethoxybenzamide

SMILES

COc(ccc(C(c(cc(c1cccnc11)[N+]([O-])=O)c1O)NC(c(cc1OC)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C28H27N3O9/c1-36-20-9-8-15(11-21(20)37-2)24(18-14-19(31(34)35)17-7-6-10-29-25(17)26(18)32)30-28(33)16-12-22(38-3)27(40-5)23(13-16)39-4/h6-14,24,32H,1-5H3,(H,30,33)/t24-/m0/s1

InChI Key

XBNSOXTZDNXBOO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15110529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-4.09

Polar Surface Area

120.064

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

K839-0060 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 K839-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0060?
Check Price and Availability of K839-0060, 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 K839-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0060
  • 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 K839-0060 available by request