3257-1629 Screening compound: 4-(4-benzoylphenoxy)-3-nitrobenzonitrile

3257-1629 Screening compound: 4-(4-benzoylphenoxy)-3-nitrobenzonitrile
3257-1629 Screening compound: 4-(4-benzoylphenoxy)-3-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-1629
4-(4-benzoylphenoxy)-3-nitrobenzonitrile

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

3257-1629

Molecular Formula

C20H12N2O4 (C20 H12 N2 O4)

Compound Name

4-(4-benzoylphenoxy)-3-nitrobenzonitrile

IUPAC name

4-(4-benzoylphenoxy)-3-nitrobenzonitrile

SMILES

N#Cc(cc1)cc([N+]([O-])=O)c1Oc(cc1)ccc1C(c1ccccc1)=O

InChI

InChI=1S/C20H12N2O4/c21-13-14-6-11-19(18(12-14)22(24)25)26-17-9-7-16(8-10-17)20(23)15-4-2-1-3-5-15/h1-12H

InChI Key

DFJFUNTWNTYPDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01435616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.41

Polar Surface Area

70.677

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3257-1629 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3257-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-1629?
Check Price and Availability of 3257-1629, 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 3257-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-1629
  • 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 3257-1629 available by request