1852-0509 Screening compound: 2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

1852-0509 Screening compound: 2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
1852-0509 Screening compound: 2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1852-0509
2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

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

1852-0509

Molecular Formula

C18H13FN2O (C18 H13 FN2 O)

Compound Name

2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

IUPAC name

2-[3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

SMILES

N#CC(C(CC(c(cc1)ccc1F)=O)c1ccccc1)C#N

InChI

InChI=1S/C18H13FN2O/c19-16-8-6-14(7-9-16)18(22)10-17(15(11-20)12-21)13-4-2-1-3-5-13/h1-9,15,17H,10H2/t17-/m1/s1

InChI Key

KMQCNCUIBNCUCT-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.38

Polar Surface Area

47.326

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 1852-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1852-0509?
Check Price and Availability of 1852-0509, 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 1852-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1852-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1852-0509
  • 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 1852-0509 available by request