C469-0209 Screening compound: (2E)-3-{3-chloro-4-[2-(4-acetamidophenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide

C469-0209 Screening compound: (2E)-3-{3-chloro-4-[2-(4-acetamidophenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
C469-0209 Screening compound: (2E)-3-{3-chloro-4-[2-(4-acetamidophenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0209
(2E)-3-{3-chloro-4-[2-(4-acetamidophenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-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

C469-0209

Molecular Formula

C28H25ClFN3O5 (C28 H25 ClFN3 O5)

Compound Name

(2E)-3-{3-chloro-4-[2-(4-acetamidophenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide

IUPAC name

(2E)-3-{3-chloro-4-[2-(4-acetamidophenoxy)ethoxy]-5-ethoxyphenyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide

SMILES

CCOc1cc(/C=C(/C(Nc(cc2)ccc2F)=O)\C#N)cc(Cl)c1OCCOc(cc1)ccc1NC(C)=O

InChI

InChI=1S/C28H25ClFN3O5/c1-3-36-26-16-19(14-20(17-31)28(35)33-23-6-4-21(30)5-7-23)15-25(29)27(26)38-13-12-37-24-10-8-22(9-11-24)32-18(2)34/h4-11,14-16H,3,12-13H2,1-2H3,(H,32,34)(H,33,35)

InChI Key

IBCHLUOVPNWRIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.97

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

5.081

Distribution Coefficient, logD

5.008

Water Solubility, LogSw

-5.47

Polar Surface Area

85.595

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C469-0209 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C469-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0209?
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What is the minimum amount of C469-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0209
  • 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 C469-0209 available by request