C469-0206 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(4-fluorophenyl)prop-2-enamide

C469-0206 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(4-fluorophenyl)prop-2-enamide
C469-0206 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(4-fluorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0206
(2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-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

C469-0206

Molecular Formula

C26H22FN3O4 (C26 H22 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1OCCOc1ccc(/C=C(/C(Nc(cc2)ccc2F)=O)\C#N)cc1)=O

InChI

InChI=1S/C26H22FN3O4/c1-18(31)29-22-8-12-25(13-9-22)34-15-14-33-24-10-2-19(3-11-24)16-20(17-28)26(32)30-23-6-4-21(27)5-7-23/h2-13,16H,14-15H2,1H3,(H,29,31)(H,30,32)

InChI Key

BBDKEASBIZDAJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.28

Polar Surface Area

78.212

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C469-0206 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C469-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0206?
Check Price and Availability of C469-0206, 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 C469-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0206
  • 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 C469-0206 available by request