2187-0528 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

2187-0528 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate
2187-0528 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-0528
ethyl 4-{5-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

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

2187-0528

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

ethyl 4-{5-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1E)-2-cyano-2-[(4-ethoxyphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(cc2)ccc2OCC)=O)\C#N)o1)=O

InChI

InChI=1S/C25H22N2O5/c1-3-30-21-11-9-20(10-12-21)27-24(28)19(16-26)15-22-13-14-23(32-22)17-5-7-18(8-6-17)25(29)31-4-2/h5-15H,3-4H2,1-2H3,(H,27,28)

InChI Key

GPXKMUCWHPFHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.708

Distribution Coefficient, logD

5.705

Water Solubility, LogSw

-5.52

Polar Surface Area

75.833

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

2187-0528 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2187-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-0528?
Check Price and Availability of 2187-0528, 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 2187-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-0528
  • 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 2187-0528 available by request