C469-0212 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3,5-dimethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide

C469-0212 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3,5-dimethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide
C469-0212 Screening compound: (2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3,5-dimethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0212
(2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-3,5-dimethoxyphenyl}-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

C469-0212

Molecular Formula

C28H26FN3O6 (C28 H26 FN3 O6)

Compound Name

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

IUPAC name

(2E)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]-35-dimethoxyphenyl}-N-(4-fluorophenyl)prop-2-enamide

SMILES

CC(Nc(cc1)ccc1OCCOc(c(OC)cc(/C=C(/C(Nc(cc1)ccc1F)=O)\C#N)c1)c1OC)=O

InChI

InChI=1S/C28H26FN3O6/c1-18(33)31-22-8-10-24(11-9-22)37-12-13-38-27-25(35-2)15-19(16-26(27)36-3)14-20(17-30)28(34)32-23-6-4-21(29)5-7-23/h4-11,14-16H,12-13H2,1-3H3,(H,31,33)(H,32,34)

InChI Key

DSAPGOATAFIQFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.16

Polar Surface Area

93.646

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C469-0212 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)

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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C469-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0212?
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What is the minimum amount of C469-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0212
  • 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 C469-0212 available by request