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13906-05-3,MFCD00124313
Catalog No.:AA001A13

13906-05-3 | 3-Benzyl-2-mercapto-3h-quinazolin-4-one

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500mg
>95%
2 weeks  
$592.00   $415.00
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1g
>95%
2 weeks  
$633.00   $443.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001A13
Chemical Name:
3-Benzyl-2-mercapto-3h-quinazolin-4-one
CAS Number:
13906-05-3
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
MDL Number:
MFCD00124313
SMILES:
S=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1
Properties
Computed Properties
 
Complexity:
365  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartDou,Guo-Lan;Wang,Man-Man;Huang,Zhi-Bin;Shi,Da-Qing[JournalofHeterocyclicChemistry,2009,vol.46,#4,p.645-649]

[1]Al-Suwaidan,IbrahimA.;Abdel-Aziz,AlaaA.-M.;Shawer,TaghreedZ.;Ayyad,RezkR.;Alanazi,AmerM.;El-Morsy,AhmadM.;Mohamed,MenshawyA.;Abdel-Aziz,NaglaaI.;El-Sayed,MagdaA.-A.;El-Azab,AdelS.[JournalofEnzymeInhibitionandMedicinalChemistry,2016,vol.31,#1,p.78-89]

[2]Pele,Raluca;Marc,Gabriel;Stana,Anca;Ionuț,Ioana;Nastasă,Cristina;Tiperciuc,Brîndușa;Oniga,Ilioara;Pîrnău,Adrian;Vlase,Laurian;Oniga,Ovidiu[Molecules,2022,vol.27,#8]

[3]Jerković,Igor;Komar,Mario;Kraljević,TatjanaGazivoda;Molnar,Maja[Molecules,2022,vol.27,#2]

[4]El-Azab,AdelS.;Al-Dhfyan,Abdullah;Abdel-Aziz,AlaaA.-M.;Abou-Zeid,LailaA.;Alkahtani,HamadM.;Al-Obaid,AbdulrahmanM.;Al-Gendy,ManalA.[JournalofEnzymeInhibitionandMedicinalChemistry,2017,vol.32,#1,p.935-944]

[5]El-Azab,AdelS.;Abdel-Aziz,AlaaA.-M.;Bua,Sivia;Nocentini,Alessio;El-Gendy,ManalA.;Mohamed,MenshawyA.;Shawer,TaghreedZ.;AlSaif,NawafA.;Supuran,ClaudiuT.[BioorganicChemistry,2019,vol.87,p.78-90]

90154-52-2    13906-05-3   
3-benzyl-2-3-oxo-3-(piperidin-1-yl)propylthio}quinazolin-4(3H)-one 

[1]Balaswamy;Aravind;PurushothamReddy;Satyanarayana[RussianJournalofGeneralChemistry,2018,vol.88,#4,p.774-779][Zh.Obshch.Khim.,2018,vol.88,#4,p.774-779,6]

[1]Patil,MayuriV.;Mhaldar,PradeepM.;Tayade,ShivajiN.;Rashinkar,GajananS.;Pore,DattaprasadM.[JournalofMolecularLiquids,2022,vol.359]

[2]Patil,MayuriV.;Mhaldar,PradeepM.;Tayade,ShivajiN.;Rashinkar,GajananS.;Pore,DattaprasadM.[JournalofMolecularLiquids,2022,vol.359]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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