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Home Amines 821794-90-5
821794-90-5,MFCD18379168
Catalog No.:AA00G3L9

821794-90-5 | 1-[4-AMino-7-(3-hydroxypropyl)-5-(4-Methylphenyl)-7H-pyrrolo[2,3-d]pyriMidin-6-yl]-2-chloro-ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
≥99%
in stock  
$379.00   $265.00
- +
25mg
≥99%
in stock  
$499.00   $349.00
- +
50mg
≥99%
in stock  
$772.00   $540.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00G3L9
Chemical Name:
1-[4-AMino-7-(3-hydroxypropyl)-5-(4-Methylphenyl)-7H-pyrrolo[2,3-d]pyriMidin-6-yl]-2-chloro-ethanone
CAS Number:
821794-90-5
Molecular Formula:
C18H19ClN4O2
Molecular Weight:
358.8221
MDL Number:
MFCD18379168
SMILES:
OCCCn1c(C(=O)CCl)c(c2c1ncnc2N)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
458  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
2.5  

Literature

Title: Structural bioinformatics-based design of selective, irreversible kinase inhibitors.

Journal: Science (New York, N.Y.) 20050527

Title: Snead JL, et al. A coupled chemical-genetic and bioinformatic approach to Polo-like kinase pathway exploration. Chem Biol. 2007 Nov;14(11):1261-72.

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SDS
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Tags:821794-90-5 Molecular Formula|821794-90-5 MDL|821794-90-5 SMILES|821794-90-5 1-[4-AMino-7-(3-hydroxypropyl)-5-(4-Methylphenyl)-7H-pyrrolo[2,3-d]pyriMidin-6-yl]-2-chloro-ethanone