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ML316

CAT: 1410-M12305Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M12305Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML316 is a specific antifungal agent that fungal-selectively inhibits the mitochondrial phosphate carrier Mir1.
CAS Number
1604819-70-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
350.408
Molecular Formula
C17H19FN2O3S
Notes
Research use only, not for human use.
Receptor
Fungal

Chemical Information

Ethyl 1-(4-fluorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.5]decane-3-carboxylate
CAS Number1604819-70-6
PubChem CID56604860
IUPAC Nameethyl 1-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-diazaspiro[4.5]decane-3-carboxylate
Molecular FormulaC17H19FN2O3S
Molecular Weight350.4
XLogP3.7
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity528
SMILES
CCOC(=O)N1C(=O)C2(CCCCC2)N(C1=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN2O3S/c1-2-23-16(22)19-14(21)17(10-4-3-5-11-17)20(15(19)24)13-8-6-12(18)7-9-13/h6-9H,2-5,10-11H2,1H3
InChIKey
VKKQLIVQLTYLGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 1-(4-fluorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.5]decane-3-carboxylate
CAS: 1604819-70-6
CID: 56604860
Formula: C17H19FN2O3S
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass350.11004181
Monoisotopic Mass350.11004181
Topological Polar Surface Area81.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity528
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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