Products for Research Use Only
RegisterLogin

ML366

CAT: 0804-HY-115845Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-115845Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ML366 is an inhibitor of Vibrio cholerae Quorum Sensing, exhibiting activity by targeting the LuxO response regulator.
CAS Number
851094-56-9
UNSPSC
12352005
Target
DNA/RNA Synthesis; Endogenous Metabolite
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ml366.html
Smiles
O=C(C1CCCCC1)NC2=NN=C(C3=CC4=C(OCCO4)C=C3)O2
Molecular Formula
C17H19N3O4
Molecular Weight
329.35
References & Citations
[1]Discovery of ML366, an inhibitor of Vibrio cholerae Quorum Sensing Acting via the LuxO response regulator
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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

Related Products

CatalogName
HY-118147ML356
HY-18669-01ML346
HY-12345-01ML365
HY-100900-01ML364
HY-12928-01ML336
HY-122198-01ML367
HY-100900RML364 (Standard)

Alternative Products

CatalogName
T25822-01ML366

Popular Products