3931-3286 Screening compound: (2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

3931-3286 Screening compound: (2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
3931-3286 Screening compound: (2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-3286
(2E)-2-[(4-fluorophenyl)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

3931-3286

Molecular Formula

C14H14FNO (C14 H14 FNO)

Compound Name

(2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

IUPAC name

(2E)-2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

SMILES

O=C(C1CCN2CC1)/C2=C\c(cc1)ccc1F

InChI

InChI=1S/C14H14FNO/c15-12-3-1-10(2-4-12)9-13-14(17)11-5-7-16(13)8-6-11/h1-4,9,11H,5-8H2

InChI Key

ZENGXRZFUKYWDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06797027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.27

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

2.722

Distribution Coefficient, logD

0.033

Water Solubility, LogSw

-2.88

Polar Surface Area

15.661

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3931-3286 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3931-3286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-3286?
Check Price and Availability of 3931-3286, 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 3931-3286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-3286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-3286
  • 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 3931-3286 available by request