1499-0825 Screening compound: ethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate

1499-0825 Screening compound: ethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
1499-0825 Screening compound: ethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1499-0825
ethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)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

1499-0825

Molecular Formula

C16H13NO3 (C16 H13 NO3)

Compound Name

ethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate

IUPAC name

ethyl (2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c1ccc(-c2ccccc2)o1)=O

InChI

InChI=1S/C16H13NO3/c1-2-19-16(18)13(11-17)10-14-8-9-15(20-14)12-6-4-3-5-7-12/h3-10H,2H2,1H3

InChI Key

IGVPVTJRTRLHHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00195939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.95

Polar Surface Area

45.618

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1499-0825 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1499-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1499-0825?
Check Price and Availability of 1499-0825, 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 1499-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1499-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1499-0825
  • 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 1499-0825 available by request