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Cct251545

CAS No.:
1661839-45-7
Catalog Number:
AG001WJ4
Molecular Formula:
C23H24ClN5O
Molecular Weight:
421.9226
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$111
- +
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$321
- +
50mg
99%
1 week
United States
$1029
- +
100mg
99%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG001WJ4
Chemical Name:
Cct251545
CAS Number:
1661839-45-7
Molecular Formula:
C23H24ClN5O
Molecular Weight:
421.9226
MDL Number:
MFCD29472582
IUPAC Name:
8-[3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
InChI:
InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
InChI Key:
LBFYQISQYCGDDW-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccc(cc1)c1cncc(c1N1CCC2(CC1)CCNC2=O)Cl
Properties
Complexity:
617  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.167g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
421.929g/mol
Monoisotopic Mass:
421.167g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease. Nature chemical biology 20151201
Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen. Journal of medicinal chemistry 20150226
Properties