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MAO-B-IN-23

CAT: 0931-T78859-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T78859-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2107978-22-1
Target
Monoamine Oxidase
Related Pathways
Neuroscience
Bioactivity
MAO-B-IN-23, also known as Compound 11f, is a reversible and competitive monoamine oxidase B (MAO-B) inhibitor with an IC50 value of 1.44 μM and a Ki of 0.51 μM [1].
Smiles
C(N1C2(C(=O)C=3C1=CC=CC3)CCCC2)C4=CC=C(Br)C=C4
Molecular Formula
C19H18BrNO
Molecular Weight
356.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mao-B-IN-23
CAS Number2107978-22-1
PubChem CID168679850
IUPAC Name1'-[(4-bromophenyl)methyl]spiro[cyclopentane-1,2'-indole]-3'-one
Molecular FormulaC19H18BrNO
Molecular Weight356.3
XLogP4.9
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity423
SMILES
C1CCC2(C1)C(=O)C3=CC=CC=C3N2CC4=CC=C(C=C4)Br
InChI
InChI=1S/C19H18BrNO/c20-15-9-7-14(8-10-15)13-21-17-6-2-1-5-16(17)18(22)19(21)11-3-4-12-19/h1-2,5-10H,3-4,11-13H2
InChIKey
XEVZVVGVFRMWCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-23
CAS: 2107978-22-1
CID: 168679850
Formula: C19H18BrNO
MW: 356.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass355.05718
Monoisotopic Mass355.05718
Topological Polar Surface Area20.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity423
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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Alternative Products

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