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SD-6

CAT: 0013-GTR19211989-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211989-01Size:1 mg
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Description
SD-6 is an orally bioavailable, brain-penetrant small molecule inhibitor of human acetylcholinesterase (IC50 = 0.907 μM) and butyrylcholinesterase (IC50 = 1.579 μM) . Its favorable profile supports its use in both in vitro enzymatic assays and in vivo models for Alzheimer's disease research.
CAS Number
744206-31-3
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Neuroscience, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.85% (May vary between batches)
Smiles
S=C1OC (=NN1CN2CCN (CC=3C=CC=CC3) CC2) C=4C=CC=CC4
Molecular Formula
C20H22N4OS
Molecular Weight
366.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[(4-Benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CAS Number744206-31-3
PubChem CID2096125
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
Molecular FormulaC20H22N4OS
Molecular Weight366.5
XLogP3.7
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity506
SMILES
C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4OS/c26-20-24(21-19(25-20)18-9-5-2-6-10-18)16-23-13-11-22(12-14-23)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKey
ONVSVBRUYFMQPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(4-Benzylpiperazin-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CAS: 744206-31-3
CID: 2096125
Formula: C20H22N4OS
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass366.15143251
Monoisotopic Mass366.15143251
Topological Polar Surface Area63.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity506
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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