K781-0663 Screening compound: methyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

K781-0663 Screening compound: methyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
K781-0663 Screening compound: methyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0663
methyl (2E)-2-cyano-3-(4-hydroxyphenyl)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

K781-0663

Molecular Formula

C11H9NO3 (C11 H9 NO3)

Compound Name

methyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

IUPAC name

methyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

SMILES

COC(/C(/C#N)=C/c(cc1)ccc1O)=O

InChI

InChI=1S/C11H9NO3/c1-15-11(14)9(7-12)6-8-2-4-10(13)5-3-8/h2-6,13H,1H3

InChI Key

SSJMWLROUBFBOB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.749

Water Solubility, LogSw

-1.74

Polar Surface Area

56.086

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with K781-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0663?
Check Price and Availability of K781-0663, 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 K781-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0663
  • 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 K781-0663 available by request