Products for Research Use Only
RegisterLogin

MDL-801

CAT: 0931-T69707-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T69707-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2275619-55-9
Target
Others
Related Pathways
Others
Bioactivity
MDL-801 is an activator of SIRT6 deacetylation.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T26680-01ATL-801
T6553-01JTC-801
T14199-01ALZ-801
T71018-01MDL 100748
T70827-01MDL-102234
T70768-01MDL-74428
T68177-01MDL-72394
T25783-01MDL 27399
T33264-01Mdl 28564
T25782-01MDL 27324

Alternative Products

CatalogName
GTR19210309-01MDL-801
A3100-10(+)-MK 801
B1627-50(-)-MK 801
A8456-5.1JTC-801
MBS5776407ATL-801
sc-203614JTC 801
GTR19162412-01MK-801
563784ALZ-801
AR-Q01075-01801-89

Popular Products