8004-6192 Screening compound: (2Z)-2-cyano-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide

8004-6192 Screening compound: (2Z)-2-cyano-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide
8004-6192 Screening compound: (2Z)-2-cyano-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6192
(2Z)-2-cyano-N-(3,4-dimethylphenyl)-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

8004-6192

Molecular Formula

C18H16N2O (C18 H16 N2 O)

Compound Name

(2Z)-2-cyano-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide

IUPAC name

(2Z)-2-cyano-N-(34-dimethylphenyl)-3-phenylprop-2-enamide

SMILES

Cc(cc1)c(C)cc1NC(/C(/C#N)=C\c1ccccc1)=O

InChI

InChI=1S/C18H16N2O/c1-13-8-9-17(10-14(13)2)20-18(21)16(12-19)11-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21)

InChI Key

KRAJRFLUSDTDEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

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

4.540

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.31

Polar Surface Area

40.386

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8004-6192 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8004-6192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6192?
Check Price and Availability of 8004-6192, 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 8004-6192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6192
  • 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 8004-6192 available by request