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40493-18-3,MFCD00463624
Catalog No.:AA00C7FD

40493-18-3 | 4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine

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1g
tech.
in stock  
$93.00   $65.00
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5g
tech.
in stock  
$315.00   $220.00
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25g
tech.
in stock  
$1,086.00   $760.00
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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:
AA00C7FD
Chemical Name:
4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
CAS Number:
40493-18-3
Molecular Formula:
C10H9ClN2S
Molecular Weight:
224.7099
MDL Number:
MFCD00463624
SMILES:
Clc1ncnc2c1c1CCCCc1s2
Properties
Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
3.7  

Downstream Synthesis Route
40493-18-3    366-84-7   
4-(5,6,7,8-Tetrahydro-benzo4,5thieno2,3-dpyrimidin-4-ylamino)-methyl-benzoicacidethylester 

[1]Pharmazie,1993,vol.48,p.585-587

[1]Elmetwally,SouadA.;Saied,KhaledF.;Eissa,IbrahimH.;Elkaeed,EslamB.[BioorganicChemistry,2019,vol.88]

[2]Miyashita,Akira;Nagasaki,Izuru;Kawano,Akiko;Suzuki,Yumiko;Iwamoto,Ken-Ichi;Higashino,Takeo[Heterocycles,1997,vol.45,#4,p.745-755]

40493-18-3    729-99-7   
<i>N</i>-(4,5-dimethyl-oxazol-2-yl)-4-(5,6,7,8-tetrahydro-benzo4,5thieno2,3-<i>d</i>pyrimidin-4-ylamino)-benzenesulfonamide 

[1]Ghorab[Phosphorus,SulfurandSiliconandtheRelatedElements,2000,vol.165,p.221-235]

[1]Locationinpatent:experimentalpartPédeboscq,Stéphane;Gravier,Denis;Casadebaig,Françoise;Hou,Geneviève;Gissot,Arnaud;DeGiorgi,Francesca;Ichas,François;Cambar,Jean;Pometan,Jean-Paul[EuropeanJournalofMedicinalChemistry,2010,vol.45,#6,p.2473-2479]

[2]Sleebs,BradE.;Nikolakopoulos,George;Street,IanP.;Falk,Hendrik;Baell,JonathanB.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#19,p.5992-5994]

[1]OrientalJournalofChemistry,2014,vol.30,p.469-477

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:40493-18-3 Molecular Formula|40493-18-3 MDL|40493-18-3 SMILES|40493-18-3 4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine