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TB5

CAT: 1410-M17687-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17687-01Size:5 mg
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Description
TB5 is a potent, selective and reversible inhibitor of hMAO-B.
CAS Number
948841-07-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
336.25
Molecular Formula
C15H14BrNOS
Notes
Research use only, not for human use.
Receptor
HMAO-B

Chemical Information

(2E)-1-(5-Bromo-2-thienyl)-3-[4-(dimethylamino)phenyl]-2-propen-1-one
CAS Number948841-07-4
PubChem CID101571768
IUPAC Name(E)-1-(5-bromothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Molecular FormulaC15H14BrNOS
Molecular Weight336.2
XLogP4.9
Topological Polar Surface Area48.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity337
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(S2)Br
InChI
InChI=1S/C15H14BrNOS/c1-17(2)12-6-3-11(4-7-12)5-8-13(18)14-9-10-15(16)19-14/h3-10H,1-2H3/b8-5+
InChIKey
PTLDLBSWTKNYCY-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of (2E)-1-(5-Bromo-2-thienyl)-3-[4-(dimethylamino)phenyl]-2-propen-1-one
CAS: 948841-07-4
CID: 101571768
Formula: C15H14BrNOS
MW: 336.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.2
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass334.99795
Monoisotopic Mass334.99795
Topological Polar Surface Area48.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity337
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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