C469-0208 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide

C469-0208 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide
C469-0208 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0208
(2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(4-fluorophenyl)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

C469-0208

Molecular Formula

C28H26FN3O5 (C28 H26 FN3 O5)

Compound Name

(2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide

SMILES

CCOc(cc(/C=C(/C(Nc(cc1)ccc1F)=O)\C#N)cc1)c1OCCOc(cc1)ccc1NC(C)=O

InChI

InChI=1S/C28H26FN3O5/c1-3-35-27-17-20(16-21(18-30)28(34)32-24-7-5-22(29)6-8-24)4-13-26(27)37-15-14-36-25-11-9-23(10-12-25)31-19(2)33/h4-13,16-17H,3,14-15H2,1-2H3,(H,31,33)(H,32,34)

InChI Key

HEXKDIVACIEGNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.00

Polar Surface Area

85.509

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C469-0208 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 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
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C469-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0208?
Check Price and Availability of C469-0208, 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 C469-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0208
  • 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 C469-0208 available by request