1499-1098 Screening compound: ethyl (2Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

1499-1098 Screening compound: ethyl (2Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
1499-1098 Screening compound: ethyl (2Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-1098
ethyl (2Z)-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

1499-1098

Molecular Formula

C12H11NO3 (C12 H11 NO3)

Compound Name

ethyl (2Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

IUPAC name

ethyl (2Z)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

SMILES

CCOC(/C(/C#N)=C\c(cc1)ccc1O)=O

InChI

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

InChI Key

HRBVVSOFSLPAOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188426

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

2.140

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-2.21

Polar Surface Area

55.665

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1499-1098 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

PLpro Library (6343 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1499-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-1098?
Check Price and Availability of 1499-1098, 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 1499-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-1098
  • 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 1499-1098 available by request