8013-1242 Screening compound: N-[4-(cyanomethyl)phenyl]benzamide

8013-1242 Screening compound: N-[4-(cyanomethyl)phenyl]benzamide
8013-1242 Screening compound: N-[4-(cyanomethyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1242
N-[4-(cyanomethyl)phenyl]benzamide

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

8013-1242

Molecular Formula

C15H12N2O (C15 H12 N2 O)

Compound Name

N-[4-(cyanomethyl)phenyl]benzamide

IUPAC name

N-[4-(cyanomethyl)phenyl]benzamide

SMILES

N#CCc(cc1)ccc1NC(c1ccccc1)=O

InChI

InChI=1S/C15H12N2O/c16-11-10-12-6-8-14(9-7-12)17-15(18)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)

InChI Key

INYQOIZENUYTRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.348

Distribution Coefficient, logD

2.348

Water Solubility, LogSw

-2.88

Polar Surface Area

40.821

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8013-1242 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1242?
Check Price and Availability of 8013-1242, 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 8013-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1242
  • 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 8013-1242 available by request