C679-0445 Screening compound: (2E)-2-cyano-N-(4-methoxyphenyl)-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enamide

C679-0445 Screening compound: (2E)-2-cyano-N-(4-methoxyphenyl)-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enamide
C679-0445 Screening compound: (2E)-2-cyano-N-(4-methoxyphenyl)-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0445
(2E)-2-cyano-N-(4-methoxyphenyl)-3-[4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]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

C679-0445

Molecular Formula

C24H19N5O4S (C24 H19 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(SC1=NC(COc2ccc(/C=C(/C(Nc(cc3)ccc3OC)=O)\C#N)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C24H19N5O4S/c1-15-28-29-22(30)12-19(27-24(29)34-15)14-33-21-7-3-16(4-8-21)11-17(13-25)23(31)26-18-5-9-20(32-2)10-6-18/h3-12H,14H2,1-2H3,(H,26,31)

InChI Key

FEWHFELWTYKHHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.91

Polar Surface Area

92.634

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C679-0445 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 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 C679-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0445?
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What is the minimum amount of C679-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0445
  • 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 C679-0445 available by request