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BDM91514

CAT: 0013-GTR19218717-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218717-02Size:50 mg
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Description
BDM91514 is a potent AcrB inhibitor that synergizes with pyridomycin, demonstrating an EC90 of 8 μM against E. coli BW25113. Its favorable plasma and microsomal stability supports its utility in researching antibiotic adjuvants and efflux pump inhibition for in vitro and in vivo antimicrobial studies.
CAS Number
2892824-90-5
Field of Research
Infectious Disease & Virology
Smiles
ClC1=CC (C2=NOC (CCN) =N2) =CN=C1N3CCNCC3.Cl.Cl
Molecular Formula
C13H19Cl3N6O
Molecular Weight
381.69
Storage Conditions
-20°C
Notes
For research use only.

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
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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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