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MMV390048

CAT: 0013-GTR19174555-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174555-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MMV390048
CAS Number
1314883-11-8
Product Name Alternative
Inhibit, Parasite, MMV390048, MMV-390048, MMV 390048, Inhibitor, PI4 kinases, PI4K, Phosphatidylinositol 4 kinases, Plasmodium PI4K inhibitor
Field of Research
Infectious Disease & Virology, Signal Transduction
Purity
97.48% (May vary between batches)
Solubility
DMSO:90 mg/mL (228.79 mM)
Smiles
CS (=O) (=O) c1ccc (cc1) -c1cnc (N) c (c1) -c1ccc (nc1) C (F) (F) F
Molecular Formula
C18H14F3N3O2S
Molecular Weight
393.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mmv-048

has antimalarial activity; structure in first source

CAS Number1314883-11-8
PubChem CID53311393
IUPAC Name5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.4
XLogP2.8
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity600
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKey
RTJQABCNNLMCJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mmv-048
CAS: 1314883-11-8
CID: 53311393
Formula: C18H14F3N3O2S
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass393.07588236
Monoisotopic Mass393.07588236
Topological Polar Surface Area94.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity600
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

Alternative Products

CatalogName
MBS387914-01MMV390048
A13566-100MMV390048 100mg
A13566-50MMV390048 50mg
A13566-1MMV390048 1mg
A13566-25MMV390048 25mg
A13566-10MMV390048 10mg
A13566-5MMV390048 5mg
A13566-10mM-DMMV390048 10mM * 1mL in DMSO

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