4521-0071 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

4521-0071 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
4521-0071 Screening compound: (2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4521-0071
(2Z)-2-[(2-chlorophenyl)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

4521-0071

Molecular Formula

C14H14ClNO (C14 H14 ClNO)

Compound Name

(2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

IUPAC name

(2Z)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

SMILES

O=C(C1CCN2CC1)/C2=C/c(cccc1)c1Cl

InChI

InChI=1S/C14H14ClNO/c15-12-4-2-1-3-11(12)9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10H,5-8H2

InChI Key

WNICXJVIQXXISD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00111481

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

247.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

0.914

Water Solubility, LogSw

-3.33

Polar Surface Area

15.661

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4521-0071 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4521-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4521-0071?
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What is the minimum amount of 4521-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4521-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4521-0071
  • 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 4521-0071 available by request