1883423-59-3,MFCD31382190
Catalog No.:AA01EOND

1883423-59-3 | MSC2530818

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$13.00   $9.00
- +
10mg
98+%
in stock  
$43.00   $31.00
- +
250mg
97%
in stock  
$805.00   $564.00
- +
1g
97%
in stock  
$1,997.00 $1,398.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EOND
Chemical Name:
MSC2530818
CAS Number:
1883423-59-3
Molecular Formula:
C18H17ClN4O
Molecular Weight:
340.8068
MDL Number:
MFCD31382190
SMILES:
Clc1ccc(cc1)[C@@H]1CCCN1C(=O)c1cnc2c(c1)c(C)n[nH]2
Properties
Computed Properties
 
Complexity:
468  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CANCERRESEARCHUK;MERCKKGAA-WO2016/26549,2016,A1

[1]CurrentPatentAssignee:CANCERRESEARCHUK;MERCKKGAA-WO2016/26549,2016,A1

[1]CurrentPatentAssignee:CANCERRESEARCHUK;MERCKKGAA-WO2016/26549,2016,A1Locationinpatent:Page/Pagecolumn30

1118787-14-6    1228560-89-1   
(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl-(3-methyl-1H-pyrazolo-3,4-bpyridin-5-yl)methanone 

[1]JournalofMedicinalChemistry,2016,vol.59,p.9337-9349

1118787-14-6    1217651-75-6   
(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl-(3-methyl-1H-pyrazolo-3,4-bpyridin-5-yl)methanone 

[1],2020,vol.6,p.781-791

Literature

Title: Czodrowski P, et al. Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J Med Chem. 2016 Oct 27;59(20):9337-9349.

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SDS
Related Products of 1883423-59-3
Tags:1883423-59-3 Molecular Formula|1883423-59-3 MDL|1883423-59-3 SMILES|1883423-59-3 MSC2530818
Catalog No.: AA01EOND
1883423-59-3,MFCD31382190
1883423-59-3 | MSC2530818
Pack Size: 1mg
Purity: 98+%
in stock
$13.00 $9.00
Pack Size: 10mg
Purity: 98+%
in stock
$43.00 $31.00
Pack Size: 250mg
Purity: 97%
in stock
$805.00 $564.00
Pack Size: 1g
Purity: 97%
in stock
$1,997.00 $1,398.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01EOND
Chemical Name: MSC2530818
CAS Number: 1883423-59-3
Molecular Formula: C18H17ClN4O
Molecular Weight: 340.8068
MDL Number: MFCD31382190
SMILES: Clc1ccc(cc1)[C@@H]1CCCN1C(=O)c1cnc2c(c1)c(C)n[nH]2
Properties
Complexity: 468  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
1150618-05-5    1883423-59-3    1883423-60-6 

[1]CurrentPatentAssignee:CANCERRESEARCHUK;MERCKKGAA-WO2016/26549,2016,A1

1118787-14-6    1883423-59-3    1883423-60-6 

[1]CurrentPatentAssignee:CANCERRESEARCHUK;MERCKKGAA-WO2016/26549,2016,A1

1883423-56-0    1883423-59-3    1883423-60-6 

[1]CurrentPatentAssignee:CANCERRESEARCHUK;MERCKKGAA-WO2016/26549,2016,A1Locationinpatent:Page/Pagecolumn30

1118787-14-6    1228560-89-1   
(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl-(3-methyl-1H-pyrazolo-3,4-bpyridin-5-yl)methanone 

[1]JournalofMedicinalChemistry,2016,vol.59,p.9337-9349

1118787-14-6    1217651-75-6   
(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl-(3-methyl-1H-pyrazolo-3,4-bpyridin-5-yl)methanone 

[1],2020,vol.6,p.781-791

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