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PAL-4

CAT: 1410-M28869-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M28869-04Size:25 mg
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Description
PAL-4 stimulates the activity of LYPLAL1, a poorly characterized serine hydrolase with complex genetic links to human metabolic traits.
CAS Number
2609594-35-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
422.91
Molecular Formula
C17H15ClN4O3S2
Notes
Research use only, not for human use.
Receptor
Glucocerebrosidase

Chemical Information

5-[(4-Chlorophenyl)methylsulfanyl]-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,2,4-triazol-3-amine
CAS Number2609594-35-4
PubChem CID146020332
IUPAC Name5-[(4-chlorophenyl)methylsulfanyl]-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,2,4-triazol-3-amine
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.9
XLogP4.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity612
SMILES
C1COC2=C1C=C(C=C2)S(=O)(=O)N3C(=NC(=N3)SCC4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C17H15ClN4O3S2/c18-13-3-1-11(2-4-13)10-26-17-20-16(19)22(21-17)27(23,24)14-5-6-15-12(9-14)7-8-25-15/h1-6,9H,7-8,10H2,(H2,19,20,21)
InChIKey
YDRIWANEBBWTMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(4-Chlorophenyl)methylsulfanyl]-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,2,4-triazol-3-amine
CAS: 2609594-35-4
CID: 146020332
Formula: C17H15ClN4O3S2
MW: 422.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight422.9
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass422.0274104
Monoisotopic Mass422.0274104
Topological Polar Surface Area134 Ų
Heavy Atom Count27
Formal Charge0
Complexity612
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