1445-0261 Screening compound: (2E)-3-(2-ethoxyphenyl)-N-(1-phenylethyl)-2-(phenylformamido)prop-2-enamide

1445-0261 Screening compound: (2E)-3-(2-ethoxyphenyl)-N-(1-phenylethyl)-2-(phenylformamido)prop-2-enamide
1445-0261 Screening compound: (2E)-3-(2-ethoxyphenyl)-N-(1-phenylethyl)-2-(phenylformamido)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1445-0261
(2E)-3-(2-ethoxyphenyl)-N-(1-phenylethyl)-2-(phenylformamido)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

1445-0261

Molecular Formula

C26H26N2O3 (C26 H26 N2 O3)

Compound Name

(2E)-3-(2-ethoxyphenyl)-N-(1-phenylethyl)-2-(phenylformamido)prop-2-enamide

IUPAC name

(2E)-3-(2-ethoxyphenyl)-N-(1-phenylethyl)-2-(phenylformamido)prop-2-enamide

SMILES

CCOc1c(/C=C(\C(NC(C)c2ccccc2)=O)/NC(c2ccccc2)=O)cccc1

InChI

InChI=1S/C26H26N2O3/c1-3-31-24-17-11-10-16-22(24)18-23(28-25(29)21-14-8-5-9-15-21)26(30)27-19(2)20-12-6-4-7-13-20/h4-19H,3H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1

InChI Key

MZQHGCPWYMAKLI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00326793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.32

Polar Surface Area

52.950

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

1445-0261 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1445-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1445-0261?
Check Price and Availability of 1445-0261, 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 1445-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1445-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1445-0261
  • 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 1445-0261 available by request