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BAR-072

CAT: 0013-GTR19258723-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258723-01Size:10 mg
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Description
BAR-072 is a small molecule inhibitor targeting TraE with a KD value of 2.7 μM. It significantly suppresses the transfer of the antibiotic resistance-associated plasmid pKM101. BAR-072 holds promise as a candidate molecule for research in disease areas related to infection and resistance control, by inhibiting the spread of bacterial resistance genes.
CAS Number
2068867-65-0
Field of Research
Infectious Disease & Virology
Smiles
O=C (NN=CC=1OC (=CC1) C=2C=CC=CC2N (=O) =O) C3=CC (O) =CC=C3O
Molecular Formula
C18H13N3O6
Molecular Weight
367.312
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,5-dihydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CAS Number2068867-65-0
PubChem CID173640851
IUPAC Name2,5-dihydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Molecular FormulaC18H13N3O6
Molecular Weight367.3
XLogP3.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity566
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=N/NC(=O)C3=C(C=CC(=C3)O)O)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O6/c22-11-5-7-16(23)14(9-11)18(24)20-19-10-12-6-8-17(27-12)13-3-1-2-4-15(13)21(25)26/h1-10,22-23H,(H,20,24)/b19-10+
InChIKey
UWGONYFTAALZSO-VXLYETTFSA-N
Chemical Structure
2D Structure
2D structure of 2,5-dihydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CAS: 2068867-65-0
CID: 173640851
Formula: C18H13N3O6
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.3
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass367.08043514
Monoisotopic Mass367.08043514
Topological Polar Surface Area141 Ų
Heavy Atom Count27
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-168995BAR-072
HY-101634-01ABT-072
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T205305-01HYS-072
T200087-01ES-072
T32331-01JWH 072
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