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MDL-801

CAT: 0013-GTR19210309-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210309-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MDL-801 is a potent and selective small molecule activator of the deacetylase SIRT6. It is used in research to study SIRT6's roles in aging, metabolism, and disease, with applications in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
2275619-55-9
Smiles
C (O) (=O) C1=C (S (NC2=C (C) C=C (F) C (Br) =C2) (=O) =O) C=CC (NS (=O) (=O) C3=CC (Cl) =CC (Cl) =C3) =C1
Molecular Formula
C20H14BrCl2FN2O6S2
Molecular Weight
612.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(((5-Bromo-4-fluoro-2-methylphenyl)amino)sulfonyl)-5-(((3,5-dichlorophenyl)sulfonyl)amino)benzoic acid
CAS Number2275619-55-9
PubChem CID134717373
IUPAC Name2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoic acid
Molecular FormulaC20H14BrCl2FN2O6S2
Molecular Weight612.3
XLogP4.9
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity938
SMILES
CC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)O)Br)F
InChI
InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28)
InChIKey
MJYYUGUIBHEWRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(((5-Bromo-4-fluoro-2-methylphenyl)amino)sulfonyl)-5-(((3,5-dichlorophenyl)sulfonyl)amino)benzoic acid
CAS: 2275619-55-9
CID: 134717373
Formula: C20H14BrCl2FN2O6S2
MW: 612.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight612.3
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass609.88377
Monoisotopic Mass609.88377
Topological Polar Surface Area146 Ų
Heavy Atom Count34
Formal Charge0
Complexity938
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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