0251-0220 Screening compound: ethyl (2E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoate

0251-0220 Screening compound: ethyl (2E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoate
0251-0220 Screening compound: ethyl (2E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0251-0220
ethyl (2E)-2-cyano-3-(2-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

0251-0220

Molecular Formula

C12H11NO3 (C12 H11 NO3)

Compound Name

ethyl (2E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoate

IUPAC name

ethyl (2E)-2-cyano-3-(2-hydroxyphenyl)prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c(cccc1)c1O)=O

InChI

InChI=1S/C12H11NO3/c1-2-16-12(15)10(8-13)7-9-5-3-4-6-11(9)14/h3-7,14H,2H2,1H3

InChI Key

SPQRQNMTVVNOII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00449705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.413

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.31

Polar Surface Area

54.596

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0251-0220 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0251-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0251-0220?
Check Price and Availability of 0251-0220, 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 0251-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0251-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0251-0220
  • 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 0251-0220 available by request