N004-0015 Screening compound: {5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl}(6-methoxyquinolin-4-yl)methanol

N004-0015 Screening compound: {5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl}(6-methoxyquinolin-4-yl)methanol
N004-0015 Screening compound: {5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl}(6-methoxyquinolin-4-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound N004-0015
{5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl}(6-methoxyquinolin-4-yl)methanol

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

N004-0015

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

{5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl}(6-methoxyquinolin-4-yl)methanol

IUPAC name

{5-ethenyl-1-azabicyclo[2.2.2]octan-3-yl}(6-methoxyquinolin-4-yl)methanol

SMILES

COc1cc2c(C(C(CN(CC3)C4)C3C4C=C)O)ccnc2cc1

InChI

InChI=1S/C20H25N2O2/c1-3-13-11-22-9-7-15(13)18(12-22)20(23)16-6-8-21-19-5-4-14(24-2)10-17(16)19/h3-6,8,10,13,15,18,20,22-23H,1,7,9,11-12H2,2H3

InChI Key

BOMNOGNYKPTEMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-3.03

Polar Surface Area

35.184

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

9.78

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.00

N004-0015 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N004-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N004-0015?
Check Price and Availability of N004-0015, 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 N004-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N004-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N004-0015
  • 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 N004-0015 available by request