4213-0141 Screening compound: ethyl (2E)-2-cyano-3-[5-(2-methoxyphenyl)furan-2-yl]prop-2-enoate

4213-0141 Screening compound: ethyl (2E)-2-cyano-3-[5-(2-methoxyphenyl)furan-2-yl]prop-2-enoate
4213-0141 Screening compound: ethyl (2E)-2-cyano-3-[5-(2-methoxyphenyl)furan-2-yl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4213-0141
ethyl (2E)-2-cyano-3-[5-(2-methoxyphenyl)furan-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

4213-0141

Molecular Formula

C17H15NO4 (C17 H15 NO4)

Compound Name

ethyl (2E)-2-cyano-3-[5-(2-methoxyphenyl)furan-2-yl]prop-2-enoate

IUPAC name

ethyl (2E)-2-cyano-3-[5-(2-methoxyphenyl)furan-2-yl]prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c1ccc(-c(cccc2)c2OC)o1)=O

InChI

InChI=1S/C17H15NO4/c1-3-21-17(19)12(11-18)10-13-8-9-16(22-13)14-6-4-5-7-15(14)20-2/h4-10H,3H2,1-2H3

InChI Key

OSNQTXKXNFDRJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-3.91

Polar Surface Area

53.249

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4213-0141 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4213-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4213-0141?
Check Price and Availability of 4213-0141, 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 4213-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4213-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4213-0141
  • 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 4213-0141 available by request