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ML335

CAT: 0957-S6572-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S6572-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
825658-06-8
Target
Potassium Channel
Applications
Transmembrane Transporters
Smiles
CS (=O) (=O) NC1=CC=C (C=C1) C (=O) NCC2=C (C=C (C=C2) Cl) Cl
Molecular Formula
C15H14Cl2N2O3S
Additionnal Information
ML335 is a potent and selective TREK-1/2 activator. ML335 is an agonist for OPRM1-OPRD1 heterdimerization with an EC50 of 403 nM, and selectivities vs. OPRM1, OPRD1, and HTR5A of 37, 2.7, and >99, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

N-((2,4-dichlorophenyl)methyl)-4-methanesulfonamidobenzamide
CAS Number825658-06-8
PubChem CID1243054
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(methanesulfonamido)benzamide
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.3
XLogP2.9
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity501
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19-13-6-3-10(4-7-13)15(20)18-9-11-2-5-12(16)8-14(11)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKey
RDFIQTZRJRVFHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((2,4-dichlorophenyl)methyl)-4-methanesulfonamidobenzamide
CAS: 825658-06-8
CID: 1243054
Formula: C15H14Cl2N2O3S
MW: 373.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass372.0102189
Monoisotopic Mass372.0102189
Topological Polar Surface Area83.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity501
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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