2679-1928 Screening compound: (2Z)-N-benzyl-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

2679-1928 Screening compound: (2Z)-N-benzyl-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
2679-1928 Screening compound: (2Z)-N-benzyl-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2679-1928
(2Z)-N-benzyl-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

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

2679-1928

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

(2Z)-N-benzyl-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

IUPAC name

(2Z)-N-benzyl-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide

SMILES

CCOc(cc(/C=C(\C(NCc1ccccc1)=O)/C#N)cc1)c1OC

InChI

InChI=1S/C20H20N2O3/c1-3-25-19-12-16(9-10-18(19)24-2)11-17(13-21)20(23)22-14-15-7-5-4-6-8-15/h4-12H,3,14H2,1-2H3,(H,22,23)

InChI Key

AAZQRBUCVRWFBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.31

Polar Surface Area

56.549

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2679-1928 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2679-1928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2679-1928?
Check Price and Availability of 2679-1928, 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 2679-1928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2679-1928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2679-1928
  • 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 2679-1928 available by request