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Nav1.7-IN-17

CAT: 0804-HY-116137Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116137Size:1 Each
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Description
Nav1.7-IN-17 is an active compound.
CAS Number
1235403-87-8
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/nav1-7-in-17.html
Smiles
O=S(NC1=NC=NS1)(C2=C(F)C=C(OC3=C(C4=CC=NN4C5CN(C)C5)C=C(Cl)C=C3)C(F)=C2)=O
Molecular Formula
C21H17ClF2N6O3S2
Molecular Weight
538.98
References & Citations
[1]Kinetic Analysis of Membrane Potential Dye Response to NaV1.7 Channel Activation Identifies Antagonists with Pharmacological Selectivity against NaV1.5
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-{4-Chloro-2-[1-(1-methylazetidin-3-yl)-1H-pyrazol-5-yl]phenoxy}-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CAS Number1235403-87-8
PubChem CID46841499
IUPAC Name4-[4-chloro-2-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Molecular FormulaC21H17ClF2N6O3S2
Molecular Weight539.0
XLogP3.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity838
SMILES
CN1CC(C1)N2C(=CC=N2)C3=C(C=CC(=C3)Cl)OC4=CC(=C(C=C4F)S(=O)(=O)NC5=NC=NS5)F
InChI
InChI=1S/C21H17ClF2N6O3S2/c1-29-9-13(10-29)30-17(4-5-26-30)14-6-12(22)2-3-18(14)33-19-7-16(24)20(8-15(19)23)35(31,32)28-21-25-11-27-34-21/h2-8,11,13H,9-10H2,1H3,(H,25,27,28)
InChIKey
QESPTBXFDDSHIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-{4-Chloro-2-[1-(1-methylazetidin-3-yl)-1H-pyrazol-5-yl]phenoxy}-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CAS: 1235403-87-8
CID: 46841499
Formula: C21H17ClF2N6O3S2
MW: 539.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.0
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass538.0460148
Monoisotopic Mass538.0460148
Topological Polar Surface Area139 Ų
Heavy Atom Count35
Formal Charge0
Complexity838
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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