C429-0755 Screening compound: (2E)-N-(4-ethoxyphenyl)-N'-[(4-methoxyphenyl)methyl]but-2-enediamide

C429-0755 Screening compound: (2E)-N-(4-ethoxyphenyl)-N'-[(4-methoxyphenyl)methyl]but-2-enediamide
C429-0755 Screening compound: (2E)-N-(4-ethoxyphenyl)-N'-[(4-methoxyphenyl)methyl]but-2-enediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0755
(2E)-N-(4-ethoxyphenyl)-N'-[(4-methoxyphenyl)methyl]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

C429-0755

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

(2E)-N-(4-ethoxyphenyl)-N'-[(4-methoxyphenyl)methyl]but-2-enediamide

IUPAC name

(2E)-N-(4-ethoxyphenyl)-N'-[(4-methoxyphenyl)methyl]but-2-enediamide

SMILES

CCOc(cc1)ccc1NC(/C=C/C(NCc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C20H22N2O4/c1-3-26-18-10-6-16(7-11-18)22-20(24)13-12-19(23)21-14-15-4-8-17(25-2)9-5-15/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

RYHXTDGDDZOHAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.40

Polar Surface Area

62.255

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C429-0755 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C429-0755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0755?
Check Price and Availability of C429-0755, 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 C429-0755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0755
  • 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 C429-0755 available by request