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AChE-IN-83

CAT: 0931-T205656-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205656-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2828439-12-7
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Bioactivity
AChE-IN-83 (compound f1) is an AChE inhibitor that suppresses nematode growth and acetylcholinesterase activity in rice seeds while being safe for the seeds. It specifically targets Aphelenchoides besseyi, with an LC50 of 19.0 μg/mL over 48 hours. AChE-IN-83 impedes nematode populations and behaviors in rice seeds, damages the nematode cuticle, and induces reactive oxygen species, lipofuscin, and lipid generation within the nematodes.
Smiles
O=C(SC)C1=NC(=NO1)C=2C=CC(Cl)=CC2
Molecular Formula
C10H7ClN2O2S
Molecular Weight
254.693
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-methyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carbothioate
CAS Number2828439-12-7
PubChem CID176455405
IUPAC NameS-methyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carbothioate
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.69
XLogP3.2
Topological Polar Surface Area81.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity259
SMILES
CSC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H7ClN2O2S/c1-16-10(14)9-12-8(13-15-9)6-2-4-7(11)5-3-6/h2-5H,1H3
InChIKey
GPZBIRBOVSKYLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-methyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carbothioate
CAS: 2828439-12-7
CID: 176455405
Formula: C10H7ClN2O2S
MW: 254.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.69
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass253.9916763
Monoisotopic Mass253.9916763
Topological Polar Surface Area81.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity259
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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Alternative Products

CatalogName
GTR19249125-01AChE-IN-83
304395-01AChE (ACHE, Acetylcholinesterase)
A0526-20CAcetylcholinesterase (ACHE, AChE)
122871ACHE (Acetylcholinesterase, AChE)
220543-01AChE (Acetylcholinesterase, AChE, ACHE, ACES) discontinued
122871-APCACHE (Acetylcholinesterase, AChE) (APC)
MBS6368542-01ACHE (Acetylcholinesterase, AChE) (HRP)
MBS6368541-01ACHE (Acetylcholinesterase, AChE) (FITC)
304391AChE (ACHE, Acetylcholinesterase, YT)
A0526-20ACHE, NT (Acetylcholinesterase, AChE)

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