K839-0063 Screening compound: N-[(8-hydroxy-5-nitroquinolin-7-yl)[4-(propan-2-yl)phenyl]methyl]-3,4,5-trimethoxybenzamide

K839-0063 Screening compound: N-[(8-hydroxy-5-nitroquinolin-7-yl)[4-(propan-2-yl)phenyl]methyl]-3,4,5-trimethoxybenzamide
K839-0063 Screening compound: N-[(8-hydroxy-5-nitroquinolin-7-yl)[4-(propan-2-yl)phenyl]methyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0063
N-[(8-hydroxy-5-nitroquinolin-7-yl)[4-(propan-2-yl)phenyl]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

K839-0063

Molecular Formula

C29H29N3O7 (C29 H29 N3 O7)

Compound Name

N-[(8-hydroxy-5-nitroquinolin-7-yl)[4-(propan-2-yl)phenyl]methyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(8-hydroxy-5-nitroquinolin-7-yl)[4-(propan-2-yl)phenyl]methyl]-345-trimethoxybenzamide

SMILES

CC(C)c1ccc(C(c(cc(c2cccnc22)[N+]([O-])=O)c2O)NC(c(cc2OC)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C29H29N3O7/c1-16(2)17-8-10-18(11-9-17)25(21-15-22(32(35)36)20-7-6-12-30-26(20)27(21)33)31-29(34)19-13-23(37-3)28(39-5)24(14-19)38-4/h6-16,25,33H,1-5H3,(H,31,34)/t25-/m0/s1

InChI Key

AFSGCVUSDIJXJU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15110532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-5.46

Polar Surface Area

104.803

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

K839-0063 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 K839-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0063?
Check Price and Availability of K839-0063, 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 K839-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0063
  • 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 K839-0063 available by request