3236-0041 Screening compound: (2E)-3-(2-chlorophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

3236-0041 Screening compound: (2E)-3-(2-chlorophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide
3236-0041 Screening compound: (2E)-3-(2-chlorophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3236-0041
(2E)-3-(2-chlorophenyl)-2-cyano-N-(1-phenylethyl)prop-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

3236-0041

Molecular Formula

C18H15ClN2O (C18 H15 ClN2 O)

Compound Name

(2E)-3-(2-chlorophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

IUPAC name

(2E)-3-(2-chlorophenyl)-2-cyano-N-(1-phenylethyl)prop-2-enamide

SMILES

CC(c1ccccc1)NC(/C(/C#N)=C/c(cccc1)c1Cl)=O

InChI

InChI=1S/C18H15ClN2O/c1-13(14-7-3-2-4-8-14)21-18(22)16(12-20)11-15-9-5-6-10-17(15)19/h2-11,13H,1H3,(H,21,22)/t13-/m0/s1

InChI Key

SCFRLFDVJJZFMV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01163228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.070

Water Solubility, LogSw

-4.39

Polar Surface Area

40.871

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

3236-0041 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3236-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3236-0041?
Check Price and Availability of 3236-0041, 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 3236-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3236-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3236-0041
  • 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 3236-0041 available by request