K781-0666 Screening compound: METHYL (2E)-2-CYANO-3-(2,3,4-TRIMETHOXYPHENYL)PROP-2-ENOATE

K781-0666 Screening compound: METHYL (2E)-2-CYANO-3-(2,3,4-TRIMETHOXYPHENYL)PROP-2-ENOATE
K781-0666 Screening compound: METHYL (2E)-2-CYANO-3-(2,3,4-TRIMETHOXYPHENYL)PROP-2-ENOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0666
METHYL (2E)-2-CYANO-3-(2,3,4-TRIMETHOXYPHENYL)PROP-2-ENOATE

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

K781-0666

Molecular Formula

C14H15NO5 (C14 H15 NO5)

Compound Name

METHYL (2E)-2-CYANO-3-(2,3,4-TRIMETHOXYPHENYL)PROP-2-ENOATE

IUPAC name

n/a

SMILES

COC(/C(/C#N)=C/c(ccc(OC)c1OC)c1OC)=O

InChI

InChI=1S/C14H15NO5/c1-17-11-6-5-9(12(18-2)13(11)19-3)7-10(8-15)14(16)20-4/h5-7H,1-4H3

InChI Key

IGQXGOPKELYXPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01329677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.164

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-2.56

Polar Surface Area

61.533

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K781-0666 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 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
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K781-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0666?
Check Price and Availability of K781-0666, 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 K781-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0666
  • 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 K781-0666 available by request