N046-0001 Screening compound: (R)(6-methoxy-4-quinolyl)[(2S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methanol

N046-0001 Screening compound: (R)(6-methoxy-4-quinolyl)[(2S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methanol
N046-0001 Screening compound: (R)(6-methoxy-4-quinolyl)[(2S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound N046-0001
(R)(6-methoxy-4-quinolyl)[(2S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-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

N046-0001

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

(R)(6-methoxy-4-quinolyl)[(2S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methanol

IUPAC name

(R)-[(2S5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol

SMILES

COc1cc2c([C@H]([C@H](CC3CC4)N4C[C@@H]3C=C)O)ccnc2cc1

InChI

InChI=1S/C20H25N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,22-23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m1/s1

InChI Key

FNSLAMVNYJCHPZ-WTLRTRQQSA-N

MDL Number (MFCD)

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

3.105

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-3.09

Polar Surface Area

35.647

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.00

N046-0001 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Receptors Annotated Library (5376 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 N046-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N046-0001?
Check Price and Availability of N046-0001, 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 N046-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N046-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N046-0001
  • 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 N046-0001 available by request