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ML366

CAT: 0013-GTR19198865-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198865-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML366 is a small molecule inhibitor that targets the quorum sensing regulator LuxO in Vibrio cholerae. It serves as a research tool for studying bacterial communication and has demonstrated inhibitory activity in both in vitro assays and in vivo infection models.
CAS Number
851094-56-9
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Smiles
O=C (NC1=NN=C (O1) C1=CC2=C (OCCO2) C=C1) C1CCCCC1
Molecular Formula
C17H19N3O4
Molecular Weight
329.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CAS Number851094-56-9
PubChem CID4443990
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
Molecular FormulaC17H19N3O4
Molecular Weight329.35
XLogP2.7
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity444
SMILES
C1CCC(CC1)C(=O)NC2=NN=C(O2)C3=CC4=C(C=C3)OCCO4
InChI
InChI=1S/C17H19N3O4/c21-15(11-4-2-1-3-5-11)18-17-20-19-16(24-17)12-6-7-13-14(10-12)23-9-8-22-13/h6-7,10-11H,1-5,8-9H2,(H,18,20,21)
InChIKey
MZDMOTGMRDSIDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CAS: 851094-56-9
CID: 4443990
Formula: C17H19N3O4
MW: 329.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.35
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass329.13755610
Monoisotopic Mass329.13755610
Topological Polar Surface Area86.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity444
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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