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Kv3 modulator 5

CAT: 0931-T86792-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86792-02Size:50 mg
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CAS Number
1380696-68-3
Target
Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
Kv3 modulator 5 (Example 5), a Kv3 channel modulator, enhances the Kv3.2 current and may be employed in research of hearing disorders [1].
Smiles
O(C1=C2C3(CC3)COC2=C(C)C=C1)C=4N=CC(=CN4)N5C(=O)[C@@H](CC)NC5=O
Molecular Formula
C20H20N4O4
Molecular Weight
380.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Kv3 modulator 5
CAS Number1380696-68-3
PubChem CID67960176
IUPAC Name(5R)-5-ethyl-3-[2-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxypyrimidin-5-yl]imidazolidine-2,4-dione
Molecular FormulaC20H20N4O4
Molecular Weight380.4
XLogP2.4
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity646
SMILES
CC[C@@H]1C(=O)N(C(=O)N1)C2=CN=C(N=C2)OC3=C4C(=C(C=C3)C)OCC45CC5
InChI
InChI=1S/C20H20N4O4/c1-3-13-17(25)24(19(26)23-13)12-8-21-18(22-9-12)28-14-5-4-11(2)16-15(14)20(6-7-20)10-27-16/h4-5,8-9,13H,3,6-7,10H2,1-2H3,(H,23,26)/t13-/m1/s1
InChIKey
LWGBRPAONSBLOJ-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Kv3 modulator 5
CAS: 1380696-68-3
CID: 67960176
Formula: C20H20N4O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass380.14845513
Monoisotopic Mass380.14845513
Topological Polar Surface Area93.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity646
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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