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MSC2530818

CAT: 0957-S8387-05Size: 1 gDry Ice: YesHazardous: No
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CAT#:0957-S8387-05Size:1 g
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Description
MSC2530818, a CDK8 inhibitor with the IC50 of 2.6 nM, displays excellent kinase selectivity, biochemical and cellular potency, microsomal stability, and is orally bioavailable.
CAS Number
1883423-59-3
Target
CDK
Activity
Cell Cycle
Molecular Formula
C18H17ClN4O
Storage Conditions
2 years -80 in solvent

Chemical Information

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CAS Number1883423-59-3
PubChem CID118879529
IUPAC Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
Molecular FormulaC18H17ClN4O
Molecular Weight340.8
XLogP3.3
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity468
SMILES
CC1=C2C=C(C=NC2=NN1)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
InChIKey
ODRITQGYYWHQGM-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CAS: 1883423-59-3
CID: 118879529
Formula: C18H17ClN4O
MW: 340.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.8
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass340.1090889
Monoisotopic Mass340.1090889
Topological Polar Surface Area61.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3770-50MSC2530818
A12644-50MSC2530818 50mg
A12644-25MSC2530818 25mg
A12644-10MSC2530818 10mg
A12644-1MSC2530818 1mg
HY-101611R-01MSC2530818 (Standard)
A12644-100MSC2530818 100mg
A12644-5MSC2530818 5mg
A12644-10mM-DMSC2530818 10mM * 1mL in DMSO

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