0663-0163 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

0663-0163 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate
0663-0163 Screening compound: ethyl 4-{5-[(1E)-2-cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0663-0163
ethyl 4-{5-[(1E)-2-cyano-2-[(3-methylphenyl)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

0663-0163

Molecular Formula

C24H20N2O4 (C24 H20 N2 O4)

Compound Name

ethyl 4-{5-[(1E)-2-cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1E)-2-cyano-2-[(3-methylphenyl)carbamoyl]eth-1-en-1-yl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(Nc2cc(C)ccc2)=O)\C#N)o1)=O

InChI

InChI=1S/C24H20N2O4/c1-3-29-24(28)18-9-7-17(8-10-18)22-12-11-21(30-22)14-19(15-25)23(27)26-20-6-4-5-16(2)13-20/h4-14H,3H2,1-2H3,(H,26,27)

InChI Key

VCOQANZUMMRDSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01088561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.698

Water Solubility, LogSw

-5.40

Polar Surface Area

68.709

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0663-0163 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0663-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0663-0163?
Check Price and Availability of 0663-0163, 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 0663-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0663-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0663-0163
  • 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 0663-0163 available by request