2044-0037 Screening compound: ethyl 4-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoate

2044-0037 Screening compound: ethyl 4-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoate
2044-0037 Screening compound: ethyl 4-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-0037
ethyl 4-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]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

2044-0037

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

ethyl 4-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoate

IUPAC name

ethyl 4-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(/C(/C#N)=C/c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C20H18N2O4/c1-3-26-20(24)15-6-8-17(9-7-15)22-19(23)16(13-21)12-14-4-10-18(25-2)11-5-14/h4-12H,3H2,1-2H3,(H,22,23)

InChI Key

YOGCJDNRFRTHFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

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

4.132

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.18

Polar Surface Area

68.683

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

2044-0037 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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
  • 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 2044-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-0037?
Check Price and Availability of 2044-0037, 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 2044-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-0037
  • 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 2044-0037 available by request