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SB 268262

CAT: 0931-T23320-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23320-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217438-17-0
Target
CGRP Receptor, Others
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
CGRP1 antagonist
Smiles
S(=O)(C1=C(N(=O)=O)C=C(C(N(C)C2=C(C)C=CC=C2)=O)C=C1)C3=NC=CS3
Molecular Formula
C18H15N3O4S2
Molecular Weight
401.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide
CAS Number217438-17-0
PubChem CID6918567
IUPAC NameN-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide
Molecular FormulaC18H15N3O4S2
Molecular Weight401.5
XLogP3.3
Topological Polar Surface Area144
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity585
SMILES
CC1=CC=CC=C1N(C)C(=O)C2=CC(=C(C=C2)S(=O)C3=NC=CS3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O4S2/c1-12-5-3-4-6-14(12)20(2)17(22)13-7-8-16(15(11-13)21(23)24)27(25)18-19-9-10-26-18/h3-11H,1-2H3
InChIKey
YXHLPJQQPOMPGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-N-(2-methylphenyl)-3-nitro-4-(1,3-thiazol-2-ylsulfinyl)benzamide
CAS: 217438-17-0
CID: 6918567
Formula: C18H15N3O4S2
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass401.05039832
Monoisotopic Mass401.05039832
Topological Polar Surface Area144 Ų
Heavy Atom Count27
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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