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ANT431

CAT: 0931-T70319-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70319-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1639972-90-9
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
ANT431 is a novel metallo-β-lactamase inhibitor for the treatment of carbapenem-resistant enterobacteriaceae infections
Smiles
C(O)(=O)C1=C(NS(=O)(=O)C=2C=CC=NC2)SC=N1
Molecular Formula
C9H7N3O4S2
Molecular Weight
285.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(Pyridine-3-sulfonamido)thiazole-4-carboxylic acid
CAS Number1639972-90-9
PubChem CID86566878
IUPAC Name5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid
Molecular FormulaC9H7N3O4S2
Molecular Weight285.3
XLogP1.2
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity409
SMILES
C1=CC(=CN=C1)S(=O)(=O)NC2=C(N=CS2)C(=O)O
InChI
InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14)
InChIKey
OLGRJQGVXXCIMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Pyridine-3-sulfonamido)thiazole-4-carboxylic acid
CAS: 1639972-90-9
CID: 86566878
Formula: C9H7N3O4S2
MW: 285.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.3
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass284.98779806
Monoisotopic Mass284.98779806
Topological Polar Surface Area146 Ų
Heavy Atom Count18
Formal Charge0
Complexity409
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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