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MAGL-IN-6

CAT: 0931-T62489-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62489-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414320-29-7
Target
Others, MAGL
Related Pathways
Others, Metabolism
Bioactivity
MAGL-IN-6, a potent inhibitor of MAGL (IC50: 4.71 nM), can be utilized for studying neurological diseases.
Smiles
CN1C(=C2C([C@H](C)N(C(=O)C3=CC4=C(C=C3)N=CC=C4)CC2)=N1)C5=CC(F)=C(F)C(F)=C5
Molecular Formula
C24H19F3N4O
Molecular Weight
436.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Magl-IN-6
CAS Number2414320-29-7
PubChem CID146457191
IUPAC Name[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
Molecular FormulaC24H19F3N4O
Molecular Weight436.4
XLogP3.9
Topological Polar Surface Area51
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity686
SMILES
C[C@H]1C2=NN(C(=C2CCN1C(=O)C3=CC4=C(C=C3)N=CC=C4)C5=CC(=C(C(=C5)F)F)F)C
InChI
InChI=1S/C24H19F3N4O/c1-13-22-17(23(30(2)29-22)16-11-18(25)21(27)19(26)12-16)7-9-31(13)24(32)15-5-6-20-14(10-15)4-3-8-28-20/h3-6,8,10-13H,7,9H2,1-2H3/t13-/m0/s1
InChIKey
PCEFOSSMUXUVLH-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Magl-IN-6
CAS: 2414320-29-7
CID: 146457191
Formula: C24H19F3N4O
MW: 436.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass436.15109573
Monoisotopic Mass436.15109573
Topological Polar Surface Area51 Ų
Heavy Atom Count32
Formal Charge0
Complexity686
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

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