0446-0001 Screening compound: (3E)-1-phenyl-3-(phenylimino)butan-1-one

0446-0001 Screening compound: (3E)-1-phenyl-3-(phenylimino)butan-1-one
0446-0001 Screening compound: (3E)-1-phenyl-3-(phenylimino)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0446-0001
(3E)-1-phenyl-3-(phenylimino)butan-1-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

0446-0001

Molecular Formula

C16H15NO (C16 H15 NO)

Compound Name

(3E)-1-phenyl-3-(phenylimino)butan-1-one

IUPAC name

(3E)-1-phenyl-3-(phenylimino)butan-1-one

SMILES

C/C(/CC(c1ccccc1)=O)=N\c1ccccc1

InChI

InChI=1S/C16H15NO/c1-13(17-15-10-6-3-7-11-15)12-16(18)14-8-4-2-5-9-14/h2-11H,12H2,1H3

InChI Key

OUILAXKWRISQKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00510139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.929

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.23

Polar Surface Area

21.023

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 0446-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0446-0001?
Check Price and Availability of 0446-0001, 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 0446-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0446-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0446-0001
  • 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 0446-0001 available by request