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34576-94-8,MFCD00781745
Catalog No.:AA00CJ83

34576-94-8 | 3,6-Dichloro-1-benzothiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$7.00   $5.00
- +
250mg
97%
in stock  
$11.00   $8.00
- +
1g
97%
in stock  
$39.00   $28.00
- +
5g
97%
in stock  
$185.00   $130.00
- +
10g
97%
in stock  
$347.00   $243.00
- +
25g
97%
in stock  
$737.00   $516.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CJ83
Chemical Name:
3,6-Dichloro-1-benzothiophene-2-carboxylic acid
CAS Number:
34576-94-8
Molecular Formula:
C9H4Cl2O2S
Molecular Weight:
247.0979
MDL Number:
MFCD00781745
SMILES:
Clc1ccc2c(c1)sc(c2Cl)C(=O)O
Properties
Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
4.1  

Downstream Synthesis Route
34576-94-8    16874-17-2   
C22H21Cl2NO3S 

[1]Cheng,Kui;Wang,Xiaohui;Yin,Hang[JournaloftheAmericanChemicalSociety,2011,vol.133,#11,p.3764-3767]

34576-94-8   
D-phenylalaninetert-butylester 
 
C22H21Cl2NO3S 

[1]Cheng,Kui;Wang,Xiaohui;Yin,Hang[JournaloftheAmericanChemicalSociety,2011,vol.133,#11,p.3764-3767]

34576-94-8   
(3S,3aS)-3-aminomethyl-7-(3-oxomorpholin-4-yl)-3a,4-dihydrobenzoboxazolo3,4-d1,4oxazin-1(3H)-one 
 
3,6-dichloro-N-(((3S,3aS)-1-oxo-7-(3-oxomorpholin-4-yl)-1,3,3a,4-tetrahydrobenzoboxazolo3,4-d1,4oxazin-3-yl)methyl)benzobthiophene-2-carboxamide 

[1]Xue,Tao;Ding,Shi;Guo,Bin;Zhou,Yuren;Sun,Peng;Wang,Heyao;Chu,Wenjing;Gong,Guoqing;Wang,Yinye;Chen,Xiaoyan;Yang,Yushe[JournalofMedicinalChemistry,2014,vol.57,#18,p.7770-7791]

100-42-5    34576-94-8   
(E)-3,6-dichloro-2-styrylbenzobthiophene 

[1]Yang,Daoshan;Liu,Yuxia;Sun,Pengfei;Zhang,Ning;Wei,Wei;Sun,Mingyang;Chen,Guang;Bi,Siwei;Wang,Hua[OrganicandBiomolecularChemistry,2016,vol.14,#3,p.895-904]

Literature

Title: Tso SC, et al. Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain α-ketoacid dehydrogenase kinase. J Biol Chem. 2014 Jul 25;289(30):20583-93.

Title: Friberg A, et al. Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J Med Chem. 2013 Jan 10;56(1):15-30.

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SDS
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