5275-0067 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide

5275-0067 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide
5275-0067 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5275-0067
N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide

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

5275-0067

Molecular Formula

C21H19N3O6 (C21 H19 N3 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]-2-methylpropanamide

SMILES

CC(C)C(NC(c(cc1)cc2c1OCO2)c(cc(c1cccnc11)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C21H19N3O6/c1-11(2)21(26)23-18(12-5-6-16-17(8-12)30-10-29-16)14-9-15(24(27)28)13-4-3-7-22-19(13)20(14)25/h3-9,11,18,25H,10H2,1-2H3,(H,23,26)/t18-/m0/s1

InChI Key

MTYJHTAENJWPFH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03714360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.88

Polar Surface Area

99.212

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5275-0067 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 5275-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5275-0067?
Check Price and Availability of 5275-0067, 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 5275-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5275-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5275-0067
  • 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 5275-0067 available by request