4676-0069 Screening compound: (2E)-N'-(2-ethoxyphenyl)but-2-enediamide

4676-0069 Screening compound: (2E)-N'-(2-ethoxyphenyl)but-2-enediamide
4676-0069 Screening compound: (2E)-N'-(2-ethoxyphenyl)but-2-enediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0069
(2E)-N'-(2-ethoxyphenyl)but-2-enediamide

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

4676-0069

Molecular Formula

C12H14N2O3 (C12 H14 N2 O3)

Compound Name

(2E)-N'-(2-ethoxyphenyl)but-2-enediamide

IUPAC name

(2E)-N'-(2-ethoxyphenyl)but-2-enediamide

SMILES

CCOc(cccc1)c1NC(/C=C/C(N)=O)=O

InChI

InChI=1S/C12H14N2O3/c1-2-17-10-6-4-3-5-9(10)14-12(16)8-7-11(13)15/h3-8H,2H2,1H3,(H2,13,15)(H,14,16)

InChI Key

NIYSMGBUVLHAMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.076

Distribution Coefficient, logD

1.070

Water Solubility, LogSw

-2.04

Polar Surface Area

63.288

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4676-0069 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4676-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0069?
Check Price and Availability of 4676-0069, 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 4676-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0069
  • 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 4676-0069 available by request