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ASP2535

CAT: 1410-M14292-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14292-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, brain permeable, orally available glycine transporter-1 (GlyT1) inhibitor with IC50 of 92 nM (rat GlyT1), 50-fold selectivity over GlyT2.
CAS Number
374886-51-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
382.427
Molecular Formula
C22H18N6O
Notes
Research use only, not for human use.
Receptor
GlyT

Chemical Information

Asp-2535
CAS Number374886-51-8
PubChem CID9800113
IUPAC Name4-[3-(6-phenyl-3-pyridinyl)-5-propan-2-yl-1,2,4-triazol-4-yl]-2,1,3-benzoxadiazole
Molecular FormulaC22H18N6O
Molecular Weight382.4
XLogP3.8
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
CC(C)C1=NN=C(N1C2=CC=CC3=NON=C32)C4=CN=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H18N6O/c1-14(2)21-24-25-22(28(21)19-10-6-9-18-20(19)27-29-26-18)16-11-12-17(23-13-16)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKey
FQGLDGKVKDPVLO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asp-2535
CAS: 374886-51-8
CID: 9800113
Formula: C22H18N6O
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass382.15420922
Monoisotopic Mass382.15420922
Topological Polar Surface Area82.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
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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