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G43

CAT: 0931-T77633-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T77633-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
690693-02-8
Target
Antibacterial, Transferase
Related Pathways
Metabolism, Microbiology/Virology
Purity
0.9931
Bioactivity
G43 is a potent and selective glucosyltransferase inhibitor that inhibits GtfB and GtfC with Kd values of 3.7 μM and 46.9 nM, respectively.G43 exhibits in vitro and in vivo anti-Streptococcus mutans activity and can be used for caries studies.
Smiles
C(NC1=C(C(N)=O)C=CC=C1)(=O)C2=CC=3C(S2)=CC=C(N(=O)=O)C3
Molecular Formula
C16H11N3O4S
Molecular Weight
341.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CAS Number690693-02-8
PubChem CID2928882
IUPAC NameN-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
Molecular FormulaC16H11N3O4S
Molecular Weight341.3
XLogP3.4
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O4S/c17-15(20)11-3-1-2-4-12(11)18-16(21)14-8-9-7-10(19(22)23)5-6-13(9)24-14/h1-8H,(H2,17,20)(H,18,21)
InChIKey
BTTXJIMSRRTAQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CAS: 690693-02-8
CID: 2928882
Formula: C16H11N3O4S
MW: 341.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.3
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass341.04702701
Monoisotopic Mass341.04702701
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
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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