1814-1813 Screening compound: (2E)-2-cyano-3-(2-methoxyphenyl)-N-phenylprop-2-enamide

1814-1813 Screening compound: (2E)-2-cyano-3-(2-methoxyphenyl)-N-phenylprop-2-enamide
1814-1813 Screening compound: (2E)-2-cyano-3-(2-methoxyphenyl)-N-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1814-1813
(2E)-2-cyano-3-(2-methoxyphenyl)-N-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

1814-1813

Molecular Formula

C17H14N2O2 (C17 H14 N2 O2)

Compound Name

(2E)-2-cyano-3-(2-methoxyphenyl)-N-phenylprop-2-enamide

IUPAC name

(2E)-2-cyano-3-(2-methoxyphenyl)-N-phenylprop-2-enamide

SMILES

COc1c(/C=C(/C(Nc2ccccc2)=O)\C#N)cccc1

InChI

InChI=1S/C17H14N2O2/c1-21-16-10-6-5-7-13(16)11-14(12-18)17(20)19-15-8-3-2-4-9-15/h2-11H,1H3,(H,19,20)

InChI Key

LCYVXEGXDKEWJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.80

Polar Surface Area

48.016

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1814-1813 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1814-1813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1814-1813?
Check Price and Availability of 1814-1813, 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 1814-1813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1814-1813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1814-1813
  • 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 1814-1813 available by request