Products for Research Use Only

L 645151

CAT: 0013-GTR19200100-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200100-03Size:100 mg
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Description
L 645151 is a selective inhibitor of membrane-associated carbonic anhydrases. It is a valuable research tool for studying the role of these lipophilic isoforms in physiological and pathological processes, including tumor biology and metabolic regulation, in both cellular and animal models.
CAS Number
86394-94-7
Field of Research
Metabolism Research
Smiles
S (N) (=O) (=O) C=1SC=2C (N1) =CC=C (OC (C (C) (C) C) =O) C2
Molecular Formula
C12H14N2O4S2
Molecular Weight
314.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L 645151

structure given in first source

CAS Number86394-94-7
PubChem CID135214
IUPAC Name(2-sulfamoyl-1,3-benzothiazol-6-yl) 2,2-dimethylpropanoate
Molecular FormulaC12H14N2O4S2
Molecular Weight314.4
XLogP2.8
Topological Polar Surface Area136
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity481
SMILES
CC(C)(C)C(=O)OC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N
InChI
InChI=1S/C12H14N2O4S2/c1-12(2,3)10(15)18-7-4-5-8-9(6-7)19-11(14-8)20(13,16)17/h4-6H,1-3H3,(H2,13,16,17)
InChIKey
FAZPZNCEAZRGPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L 645151
CAS: 86394-94-7
CID: 135214
Formula: C12H14N2O4S2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass314.03949928
Monoisotopic Mass314.03949928
Topological Polar Surface Area136 Ų
Heavy Atom Count20
Formal Charge0
Complexity481
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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