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ML213

CAT: 0931-T4030-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T4030-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
489402-47-3
Target
Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
>99.99%
Bioactivity
ML213 (CID-3111211) is a selective activator of Kv7.2 (KCNQ2) and Kv7.4 (KCNQ4) channels, enhances Kv7.2 and Kv7.4 channels with EC50s of 230 and 510 nM, respectively.
Smiles
Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1
Molecular Formula
C17H23NO
Molecular Weight
257.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ML213

N-(2,4,6-trimethylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide is a monoterpenoid.

CAS Number489402-47-3
PubChem CID3111211
IUPAC NameN-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
Molecular FormulaC17H23NO
Molecular Weight257.37
XLogP4.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity341
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C
InChI
InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKey
SIQGKPGBLYKQBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML213
CAS: 489402-47-3
CID: 3111211
Formula: C17H23NO
MW: 257.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.37
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass257.177964357
Monoisotopic Mass257.177964357
Topological Polar Surface Area29.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20068-100ML213 100mg
A20068-50ML213 50mg
A20068-5ML213 5mg
A20068-25ML213 25mg
A20068-10ML213 10mg
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