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TBT1

CAT: 0013-GTR19187522-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187522-07Size:100 mg
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Description
TBT1 is a novel small molecule inhibitor of the MsbA transporter, stimulating its ATPase activity while blocking lipopolysaccharide biosynthesis. It exhibits broad-spectrum antimicrobial activity against pathogens including Salmonella, Pseudomonas, E. coli, and S. aureus, making it a valuable tool for studying Gram-negative and Gram-positive bacterial infections in vitro.
CAS Number
52535-76-9
Product Name Alternative
Antibacterial
Field of Research
Infectious Disease & Virology
Purity
99.27% (May vary between batches)
Solubility
DMSO:100 mg/mL (297.79 mM)
Smiles
OC (=O) c1c (NC (=O) c2ccc (Cl) cc2) sc2CCCCc12
Molecular Formula
C16H14ClNO3S
Molecular Weight
335.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(4-Chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS Number52535-76-9
PubChem CID2259677
IUPAC Name2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Molecular FormulaC16H14ClNO3S
Molecular Weight335.8
XLogP4.7
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity439
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C16H14ClNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21)
InChIKey
DUJFDTGMUKWELI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4-Chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CAS: 52535-76-9
CID: 2259677
Formula: C16H14ClNO3S
MW: 335.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.8
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass335.0382922
Monoisotopic Mass335.0382922
Topological Polar Surface Area94.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity439
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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