6420-2786 Screening compound: 2-methyl-8-[(3-nitrobenzyl)oxy]quinoline

6420-2786 Screening compound: 2-methyl-8-[(3-nitrobenzyl)oxy]quinoline
6420-2786 Screening compound: 2-methyl-8-[(3-nitrobenzyl)oxy]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6420-2786
2-methyl-8-[(3-nitrobenzyl)oxy]quinoline

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

6420-2786

Molecular Formula

C17H14N2O3 (C17 H14 N2 O3)

Compound Name

2-methyl-8-[(3-nitrobenzyl)oxy]quinoline

IUPAC name

2-methyl-8-[(3-nitrophenyl)methoxy]quinoline

SMILES

Cc1ccc(cccc2OCc3cccc([N+]([O-])=O)c3)c2n1

InChI

InChI=1S/C17H14N2O3/c1-12-8-9-14-5-3-7-16(17(14)18-12)22-11-13-4-2-6-15(10-13)19(20)21/h2-10H,11H2,1H3

InChI Key

SBGNHPPLMHOEPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03881312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.37

Polar Surface Area

49.842

Acid Dissociation Constant (pKa)

28.67

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

6420-2786 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6420-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6420-2786?
Check Price and Availability of 6420-2786, 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 6420-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6420-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6420-2786
  • 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 6420-2786 available by request