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TKIM

CAT: 0804-HY-134559-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134559-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TKIM is a TREK-1 channel inhibitor with an IC50 of 2.96 μM. TKIM binds to the pocket of the intermediate (IM) state of TREK-1[1].
CAS Number
326921-25-9
UNSPSC
12352005
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tkim.html
Purity
99.73
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(NNC(CSC1=NC2=CC=CC=C2C=C1)=O)C3=CC=C(Cl)C=C3
Molecular Formula
C18H14ClN3O2S
Molecular Weight
371.84
References & Citations
[1]Yuqin Ma, et al. Discovery of an Inhibitor for the TREK-1 Channel Targeting an Intermediate Transition State of Channel Gating. J Med Chem. 2020 Oct 8;63 (19) :10972-10983.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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