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MK-0448

CAT: 0931-T68465-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68465-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
875562-81-5
Target
Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9979
Bioactivity
MK-0448 is a novel and selective blocker of the Kv1.5 (KCNA5) channel, a key channel involved in cardiac repolarization that is associated with atrial-specific ultra-rapid K+ current I Kur.
Smiles
[C@@H]([C@H](C=1C=CC=NC1)C=2C=CC=NC2)(C=3N=C(NS(C)(=O)=O)C=CC3)C4=CC=C(F)C=C4
Molecular Formula
C24H21FN4O2S
Molecular Weight
448.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CAS Number875562-81-5
PubChem CID11525190
IUPAC NameN-[6-[(1S)-1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
Molecular FormulaC24H21FN4O2S
Molecular Weight448.5
XLogP3.3
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity662
SMILES
CS(=O)(=O)NC1=CC=CC(=N1)[C@H](C2=CC=C(C=C2)F)C(C3=CN=CC=C3)C4=CN=CC=C4
InChI
InChI=1S/C24H21FN4O2S/c1-32(30,31)29-22-8-2-7-21(28-22)24(17-9-11-20(25)12-10-17)23(18-5-3-13-26-15-18)19-6-4-14-27-16-19/h2-16,23-24H,1H3,(H,28,29)/t24-/m0/s1
InChIKey
QPWKXYZJANVPLF-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CAS: 875562-81-5
CID: 11525190
Formula: C24H21FN4O2S
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass448.13692526
Monoisotopic Mass448.13692526
Topological Polar Surface Area93.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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