C679-0409 Screening compound: (2E)-2-cyano-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide

C679-0409 Screening compound: (2E)-2-cyano-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
C679-0409 Screening compound: (2E)-2-cyano-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0409
(2E)-2-cyano-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)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

C679-0409

Molecular Formula

C24H19N5O3S (C24 H19 N5 O3 S)

Compound Name

(2E)-2-cyano-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[4-({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide

SMILES

CC(SC1=NC(COc2ccc(/C=C(/C(Nc3c(C)cccc3)=O)\C#N)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C24H19N5O3S/c1-15-5-3-4-6-21(15)27-23(31)18(13-25)11-17-7-9-20(10-8-17)32-14-19-12-22(30)29-24(26-19)33-16(2)28-29/h3-12H,14H2,1-2H3,(H,27,31)

InChI Key

BMGDQOOXOZUDEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.79

Polar Surface Area

84.393

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C679-0409 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C679-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0409?
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What is the minimum amount of C679-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0409
  • 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 C679-0409 available by request