K781-0799 Screening compound: (2E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

K781-0799 Screening compound: (2E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
K781-0799 Screening compound: (2E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0799
(2E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]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

K781-0799

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

(2E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

IUPAC name

(2E)-2-cyano-3-(23-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

SMILES

COc1ccc(CNC(/C(/C#N)=C/c(cccc2OC)c2OC)=O)cc1

InChI

InChI=1S/C20H20N2O4/c1-24-17-9-7-14(8-10-17)13-22-20(23)16(12-21)11-15-5-4-6-18(25-2)19(15)26-3/h4-11H,13H2,1-3H3,(H,22,23)

InChI Key

WETHLXVRTCYMEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.850

Distribution Coefficient, logD

2.850

Water Solubility, LogSw

-3.34

Polar Surface Area

64.599

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K781-0799 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K781-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0799?
Check Price and Availability of K781-0799, 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 K781-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0799
  • 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 K781-0799 available by request