0199-0079 Screening compound: (2E)-N-(2-benzoyl-4-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

0199-0079 Screening compound: (2E)-N-(2-benzoyl-4-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
0199-0079 Screening compound: (2E)-N-(2-benzoyl-4-chlorophenyl)-2-cyano-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0079
(2E)-N-(2-benzoyl-4-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

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

0199-0079

Molecular Formula

C23H15ClN2O2 (C23 H15 ClN2 O2)

Compound Name

(2E)-N-(2-benzoyl-4-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(2-benzoyl-4-chlorophenyl)-2-cyano-3-phenylprop-2-enamide

SMILES

N#C/C(/C(Nc(ccc(Cl)c1)c1C(c1ccccc1)=O)=O)=C\c1ccccc1

InChI

InChI=1S/C23H15ClN2O2/c24-19-11-12-21(20(14-19)22(27)17-9-5-2-6-10-17)26-23(28)18(15-25)13-16-7-3-1-4-8-16/h1-14H,(H,26,28)

InChI Key

AFJSPSPGVHEKAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00343983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-5.95

Polar Surface Area

53.155

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0199-0079 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0199-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0079?
Check Price and Availability of 0199-0079, 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 0199-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0079
  • 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 0199-0079 available by request