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1609584-72-6,MFCD29770810
Catalog No.:AA00ABLN

1609584-72-6 | MPS1-IN-3

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98% by HPLC
in stock  
$88.00   $61.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ABLN
Chemical Name:
MPS1-IN-3
CAS Number:
1609584-72-6
Molecular Formula:
C26H31N7O4S
Molecular Weight:
537.6338
MDL Number:
MFCD29770810
SMILES:
COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cn2)N1CCC(CC1)O
Properties
Computed Properties
 
Complexity:
866  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.4  

Literature

Title: Tannous BA, et al. Effects of the selective MPS1 inhibitor MPS1-IN-3 on glioblastoma sensitivity to antimitotic drugs. J Natl Cancer Inst. 2013 Sep 4;105(17):1322-31.

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Tags:1609584-72-6 Molecular Formula|1609584-72-6 MDL|1609584-72-6 SMILES|1609584-72-6 MPS1-IN-3
Catalog No.: AA00ABLN
1609584-72-6,MFCD29770810
1609584-72-6 | MPS1-IN-3
Pack Size： 1mg
Purity： 98% by HPLC
in stock
$88.00 $61.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00ABLN
Chemical Name: MPS1-IN-3
CAS Number: 1609584-72-6
Molecular Formula: C26H31N7O4S
Molecular Weight: 537.6338
MDL Number: MFCD29770810
SMILES: COc1cc(ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(n1)[nH]cn2)N1CCC(CC1)O
Properties
Complexity: 866  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 38  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.4  
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