K781-0664 Screening compound: methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate

K781-0664 Screening compound: methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
K781-0664 Screening compound: methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0664
methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]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

K781-0664

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate

IUPAC name

methyl (2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate

SMILES

CN(C)c1ccc(/C=C(/C(OC)=O)\C#N)cc1

InChI

InChI=1S/C13H14N2O2/c1-15(2)12-6-4-10(5-7-12)8-11(9-14)13(16)17-3/h4-8H,1-3H3

InChI Key

PVTUXLIWSQLDRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.462

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-2.55

Polar Surface Area

41.273

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K781-0664 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 K781-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0664?
Check Price and Availability of K781-0664, 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 K781-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0664
  • 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 K781-0664 available by request