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TKIM

CAT: 0013-GTR19156884-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156884-01Size:200 mg
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Description
TKIM is a TWIK-related potassium channel 1 (TREK-1) inhibitor, binding to the pocket of the intermediate (IM) state of TREK-1.TKIM binds to the pocket of the IM state of TREK-1, which differs from the binding of common inhibitors, which bind to channels in the inactive state. Overall, identified an allosteric ligand-binding site and a new mechanistic inhibitor for TREK-1, suggesting that IM states of ion channels may be promising druggable targets for use in discovering allosteric modulators.
CAS Number
326921-25-9
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (672.33 mM)
Smiles
Clc1ccc (cc1) C (=O) NNC (=O) CSc1ccc2ccccc2n1
Molecular Formula
C18H14ClN3O2S?
Molecular Weight
371.05
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-chloro-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CAS Number326921-25-9
PubChem CID3115384
IUPAC Name4-chloro-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.8
XLogP4.2
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity471
SMILES
C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14ClN3O2S/c19-14-8-5-13(6-9-14)18(24)22-21-16(23)11-25-17-10-7-12-3-1-2-4-15(12)20-17/h1-10H,11H2,(H,21,23)(H,22,24)
InChIKey
BWTKIGGLLXUFSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-chloro-N'-(2-quinolin-2-ylsulfanylacetyl)benzohydrazide
CAS: 326921-25-9
CID: 3115384
Formula: C18H14ClN3O2S
MW: 371.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.8
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass371.0495256
Monoisotopic Mass371.0495256
Topological Polar Surface Area96.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity471
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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