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1454619-14-7,MFCD28156414
Catalog No.:AA00AQ95

1454619-14-7 | PU-WS13

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
99%
1 week  
$222.00   $155.00
- +
10mg
99%
1 week  
$298.00   $209.00
- +
50mg
99%
1 week  
$1,117.00   $782.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AQ95
Chemical Name:
PU-WS13
CAS Number:
1454619-14-7
Molecular Formula:
C17H20Cl2N6S
Molecular Weight:
411.3519
MDL Number:
MFCD28156414
SMILES:
CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C
Properties
Computed Properties
 
Complexity:
436  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4  

Literature

Title: Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94.

Journal: Journal of medicinal chemistry 20150514

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SDS
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 261945-13-5

261945-13-5

 133276-80-9

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Tags:1454619-14-7 Molecular Formula|1454619-14-7 MDL|1454619-14-7 SMILES|1454619-14-7 PU-WS13
Catalog No.: AA00AQ95
1454619-14-7,MFCD28156414
1454619-14-7 | PU-WS13
Pack Size： 5mg
Purity： 99%
1 week
$222.00 $155.00
Pack Size： 10mg
Purity： 99%
1 week
$298.00 $209.00
Pack Size： 50mg
Purity： 99%
1 week
$1,117.00 $782.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00AQ95
Chemical Name: PU-WS13
CAS Number: 1454619-14-7
Molecular Formula: C17H20Cl2N6S
Molecular Weight: 411.3519
MDL Number: MFCD28156414
SMILES: CC(NCCCn1c(Sc2cc(Cl)cc(c2)Cl)nc2c1ncnc2N)C
Properties
Complexity: 436  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4  
Literature fold

Title: Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94.

Journal: Journal of medicinal chemistry20150514

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