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CHET3

CAT: 0013-GTR19213628-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213628-01Size:1 mg
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Description
CHET3 is a potent and selective allosteric activator of TASK-3-containing K2P channels. This small molecule research tool demonstrates significant analgesic efficacy in rodent models of both acute and chronic pain, supporting its use in neurophysiology and pain research.
CAS Number
2489231-47-0
Product Name Alternative
TASK-3, PotassiumChannel, Potassium Channel, CHET 3, CHET3, CHET-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.75% (May vary between batches)
Solubility
DMSO:2.12 mg/mL (5.01 mM)
Smiles
N (C (NC=1NC (CSC2=CC=C (C) C=C2) =CC (=O) N1) =N) C=3C=C4C (=CC3) OCCO4
Molecular Formula
C21H21N5O3S
Molecular Weight
423.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methylphenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]guanidine
CAS Number2489231-47-0
PubChem CID135450750
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methylphenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]guanidine
Molecular FormulaC21H21N5O3S
Molecular Weight423.5
XLogP2.2
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity717
SMILES
CC1=CC=C(C=C1)SCC2=CC(=O)NC(=N2)N=C(N)NC3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C21H21N5O3S/c1-13-2-5-16(6-3-13)30-12-15-11-19(27)25-21(24-15)26-20(22)23-14-4-7-17-18(10-14)29-9-8-28-17/h2-7,10-11H,8-9,12H2,1H3,(H4,22,23,24,25,26,27)
InChIKey
TWOGFEZVVKEUDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methylphenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]guanidine
CAS: 2489231-47-0
CID: 135450750
Formula: C21H21N5O3S
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass423.13651072
Monoisotopic Mass423.13651072
Topological Polar Surface Area136 Ų
Heavy Atom Count30
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5814569CHET3

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