C679-0410 Screening compound: (2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide

C679-0410 Screening compound: (2E)-2-cyano-3-[4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
C679-0410 Screening compound: (2E)-2-cyano-3-[4-({2-ethyl-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 C679-0410
(2E)-2-cyano-3-[4-({2-ethyl-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

C679-0410

Molecular Formula

C25H21N5O3S (C25 H21 N5 O3 S)

Compound Name

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

SMILES

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

InChI

InChI=1S/C25H21N5O3S/c1-3-22-29-30-23(31)13-19(27-25(30)34-22)15-33-20-10-8-17(9-11-20)12-18(14-26)24(32)28-21-7-5-4-6-16(21)2/h4-13H,3,15H2,1-2H3,(H,28,32)

InChI Key

FCBZWXUVODBYNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.08

Polar Surface Area

85.123

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C679-0410 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 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 C679-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0410?
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What is the minimum amount of C679-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0410
  • 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 C679-0410 available by request