C151-0323 Screening compound: (2Z)-2-[(pyridin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

C151-0323 Screening compound: (2Z)-2-[(pyridin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
C151-0323 Screening compound: (2Z)-2-[(pyridin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0323
(2Z)-2-[(pyridin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

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

C151-0323

Molecular Formula

C13H14N2O (C13 H14 N2 O)

Compound Name

(2Z)-2-[(pyridin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

IUPAC name

(2Z)-2-[(pyridin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

SMILES

O=C(C1CCN2CC1)/C2=C/c1ccncc1

InChI

InChI=1S/C13H14N2O/c16-13-11-3-7-15(8-4-11)12(13)9-10-1-5-14-6-2-10/h1-2,5-6,9,11H,3-4,7-8H2

InChI Key

PKYPQUFVPMYEAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

-0.710

Water Solubility, LogSw

-1.25

Polar Surface Area

25.089

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C151-0323 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C151-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0323?
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What is the minimum amount of C151-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0323
  • 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 C151-0323 available by request