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WAY-123398 free base

CAT: 0931-T35114-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T35114-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138490-53-6
Target
Others, Potassium Channel
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
Way 123398 is a class III antiarrhythmic agent.
Smiles
CN1C=2C(N=C1N(CCN(S(=O)(=O)C3=CC=C(NS(C)(=O)=O)C=C3)C)C)=CC=CC2
Molecular Formula
C19H25N5O4S2
Molecular Weight
451.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Way 123398

structure given in first source

CAS Number138490-53-6
PubChem CID132160
IUPAC Name4-(methanesulfonamido)-N-methyl-N-[2-[methyl-(1-methylbenzimidazol-2-yl)amino]ethyl]benzenesulfonamide
Molecular FormulaC19H25N5O4S2
Molecular Weight451.6
XLogP1.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity772
SMILES
CN1C2=CC=CC=C2N=C1N(C)CCN(C)S(=O)(=O)C3=CC=C(C=C3)NS(=O)(=O)C
InChI
InChI=1S/C19H25N5O4S2/c1-22(19-20-17-7-5-6-8-18(17)24(19)3)13-14-23(2)30(27,28)16-11-9-15(10-12-16)21-29(4,25)26/h5-12,21H,13-14H2,1-4H3
InChIKey
PELVIWZRAPOYAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Way 123398
CAS: 138490-53-6
CID: 132160
Formula: C19H25N5O4S2
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass451.13479664
Monoisotopic Mass451.13479664
Topological Polar Surface Area121 Ų
Heavy Atom Count30
Formal Charge0
Complexity772
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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