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MAO-B-IN-34

CAT: 0931-T200499-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200499-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86710-21-6
Target
Others, Monoamine Oxidase
Related Pathways
Others, Neuroscience
Bioactivity
MAO-B-IN-34 (compound 3d) is an inhibitor of monoamine oxidase B.
Smiles
O=C(C=CC1=CC=C(Cl)C(Cl)=C1)C2=CC=C(C=C2)N(=O)=O
Molecular Formula
C15H9Cl2NO3
Molecular Weight
322.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Dichloro-4'-nitrochalcone
CAS Number86710-21-6
PubChem CID6297637
IUPAC Name(E)-3-(3,4-dichlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.1
XLogP4.8
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity414
SMILES
C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H9Cl2NO3/c16-13-7-1-10(9-14(13)17)2-8-15(19)11-3-5-12(6-4-11)18(20)21/h1-9H/b8-2+
InChIKey
VBSFJEXNLVCUPB-KRXBUXKQSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dichloro-4'-nitrochalcone
CAS: 86710-21-6
CID: 6297637
Formula: C15H9Cl2NO3
MW: 322.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.1
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.9959485
Monoisotopic Mass320.9959485
Topological Polar Surface Area62.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-168138MAO-B-IN-34
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