8013-1310 Screening compound: N-[4-(cyanomethyl)phenyl]-2,2-diphenylacetamide

8013-1310 Screening compound: N-[4-(cyanomethyl)phenyl]-2,2-diphenylacetamide
8013-1310 Screening compound: N-[4-(cyanomethyl)phenyl]-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1310
N-[4-(cyanomethyl)phenyl]-2,2-diphenylacetamide

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

8013-1310

Molecular Formula

C22H18N2O (C22 H18 N2 O)

Compound Name

N-[4-(cyanomethyl)phenyl]-2,2-diphenylacetamide

IUPAC name

N-[4-(cyanomethyl)phenyl]-22-diphenylacetamide

SMILES

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

InChI

InChI=1S/C22H18N2O/c23-16-15-17-11-13-20(14-12-17)24-22(25)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21H,15H2,(H,24,25)

InChI Key

FFCQDMDQTXQJTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.33

Polar Surface Area

40.550

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8013-1310 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with 8013-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1310?
Check Price and Availability of 8013-1310, 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 8013-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1310
  • 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 8013-1310 available by request