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SGC-AAK1-1N

CAT: 0931-T34630Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T34630Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2242913-80-8
Target
AAK1 (AP2 associated kinase 1), Others
Related Pathways
Neuroscience, Others
Bioactivity
SGC-AAK1-1N is a potent and selective inhibitor of AAK1 (AP2 associated kinase 1), with an IC50 of 1.8 μM [1].
Smiles
N(C(C(C)C)=O)C=1C=2C(=CC(=CC2)C3=CC(NS(=O)(=O)C4CC4)=CC=C3)NN1
Molecular Formula
C20H22N4O3S
Molecular Weight
398.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sgc-aak1-1N
CAS Number2242913-80-8
PubChem CID146121078
IUPAC NameN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
Molecular FormulaC20H22N4O3S
Molecular Weight398.5
XLogP3.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity673
SMILES
CC(C)C(=O)NC1=NNC2=C1C=CC(=C2)C3=CC(=CC=C3)NS(=O)(=O)C4CC4
InChI
InChI=1S/C20H22N4O3S/c1-12(2)20(25)21-19-17-9-6-14(11-18(17)22-23-19)13-4-3-5-15(10-13)24-28(26,27)16-7-8-16/h3-6,9-12,16,24H,7-8H2,1-2H3,(H2,21,22,23,25)
InChIKey
RAIAORGFMNXPOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sgc-aak1-1N
CAS: 2242913-80-8
CID: 146121078
Formula: C20H22N4O3S
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass398.14126175
Monoisotopic Mass398.14126175
Topological Polar Surface Area112 Ų
Heavy Atom Count28
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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