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BDM91514

CAT: 0931-T79272-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79272-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2892824-90-5
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
BDM91514 enhances antibiotic efficacy by inhibiting AcrB, effectively curbing the proliferation of E. coli BW25113 with an EC90 of 8 μM when coupled with 8 μg/mL Pyridomycin. Additionally, BDM91514 exhibits favorable plasma and microsomal stability [1].
Smiles
ClC1=CC(C2=NOC(CCN)=N2)=CN=C1N3CCNCC3.Cl.Cl
Molecular Formula
C13H19Cl3N6O
Molecular Weight
381.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[3-(5-Chloro-6-piperazin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;dihydrochloride
CAS Number2892824-90-5
PubChem CID166485542
IUPAC Name2-[3-(5-chloro-6-piperazin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;dihydrochloride
Molecular FormulaC13H19Cl3N6O
Molecular Weight381.7
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity330
SMILES
C1CN(CCN1)C2=C(C=C(C=N2)C3=NOC(=N3)CCN)Cl.Cl.Cl
InChI
InChI=1S/C13H17ClN6O.2ClH/c14-10-7-9(12-18-11(1-2-15)21-19-12)8-17-13(10)20-5-3-16-4-6-20;;/h7-8,16H,1-6,15H2;2*1H
InChIKey
HQLROISGWMUDAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-(5-Chloro-6-piperazin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;dihydrochloride
CAS: 2892824-90-5
CID: 166485542
Formula: C13H19Cl3N6O
MW: 381.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass380.068592
Monoisotopic Mass380.068592
Topological Polar Surface Area93.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5820934BDM91514

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