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VPC162134

CAT: 0931-T203290-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203290-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1245813-92-6
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
VPC162134 is an antibacterial agent that inhibits H. pylori, C. jejuni, MRSA, and S. epidermidis with minimum inhibitory concentrations (MIC) of 2.9, 17.5, 93.3, and 93.3 μM, respectively. Additionally, VPC162134 acts as an inhibitor of the enzyme pyruvate ferredoxin oxidoreductase (PFOR) .
Smiles
Cl.O=C(NC1=NC=C(S1)N(=O)=O)C=2C=CC=CC2CCCN
Molecular Formula
C13H15ClN4O3S
Molecular Weight
342.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-aminopropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
CAS Number1245813-92-6
PubChem CID46916955
IUPAC Name2-(3-aminopropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.80
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity377
SMILES
C1=CC=C(C(=C1)CCCN)C(=O)NC2=NC=C(S2)[N+](=O)[O-].Cl
InChI
InChI=1S/C13H14N4O3S.ClH/c14-7-3-5-9-4-1-2-6-10(9)12(18)16-13-15-8-11(21-13)17(19)20;/h1-2,4,6,8H,3,5,7,14H2,(H,15,16,18);1H
InChIKey
NJLRBHXFDYMOLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-aminopropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
CAS: 1245813-92-6
CID: 46916955
Formula: C13H15ClN4O3S
MW: 342.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.80
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass342.0553392
Monoisotopic Mass342.0553392
Topological Polar Surface Area142 Ų
Heavy Atom Count22
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-171005VPC162134

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