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MAO-B-IN-42

CAT: 0931-T206712-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206712-01Size:10 mg
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CAS Number
2568016-10-2
Target
Monoamine Oxidase
Related Pathways
Neuroscience
Bioactivity
MAO-B-IN-42 (Compound 4f) is a selective and reversible monoamine oxidase-B (MAO-B) inhibitor, with an IC50 value of 0.184 μM. By blocking the oxidative deamination of monoamines catalyzed by MAO-B, it helps maintain neurotransmitter levels. MAO-B-IN-42 shows potential for research into Parkinson's disease.
Smiles
FC=1C=CC=C(C1)C2=NC3=CC=C(C=C3O2)C=4C=CC(O)=CC4
Molecular Formula
C19H12FNO2
Molecular Weight
305.302
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mao-B-IN-42
CAS Number2568016-10-2
PubChem CID155757362
IUPAC Name4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
Molecular FormulaC19H12FNO2
Molecular Weight305.3
XLogP4.8
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity399
SMILES
C1=CC(=CC(=C1)F)C2=NC3=C(O2)C=C(C=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H12FNO2/c20-15-3-1-2-14(10-15)19-21-17-9-6-13(11-18(17)23-19)12-4-7-16(22)8-5-12/h1-11,22H
InChIKey
POFSWVOMBQPVOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mao-B-IN-42
CAS: 2568016-10-2
CID: 155757362
Formula: C19H12FNO2
MW: 305.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.3
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass305.08520679
Monoisotopic Mass305.08520679
Topological Polar Surface Area46.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity399
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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