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FLA-63

CAT: 0931-T69568-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69568-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26087-98-9
Target
Others
Related Pathways
Others
Bioactivity
FLA-63 is a dopamine-beta-hydroxylase (DBH) -inhibitor and an inhibitor of the last step of noradrenaline biosynthesis.
Smiles
C(SSC(=S)N1CCN(C)CCC1)(=S)N2CCN(C)CCC2
Molecular Formula
C14H26N4S4
Molecular Weight
378.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1H-1,4-Diazepine, 1,1'-(dithiodicarbonothioyl)bis(hexahydro-4-methyl-
CAS Number26087-98-9
PubChem CID33295
IUPAC Name(4-methyl-1,4-diazepane-1-carbothioyl)sulfanyl 4-methyl-1,4-diazepane-1-carbodithioate
Molecular FormulaC14H26N4S4
Molecular Weight378.7
XLogP2
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity357
SMILES
CN1CCCN(CC1)C(=S)SSC(=S)N2CCCN(CC2)C
InChI
InChI=1S/C14H26N4S4/c1-15-5-3-7-17(11-9-15)13(19)21-22-14(20)18-8-4-6-16(2)10-12-18/h3-12H2,1-2H3
InChIKey
NXJOFTRBTBDSHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-1,4-Diazepine, 1,1'-(dithiodicarbonothioyl)bis(hexahydro-4-methyl-
CAS: 26087-98-9
CID: 33295
Formula: C14H26N4S4
MW: 378.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.7
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass378.10403154
Monoisotopic Mass378.10403154
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity357
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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