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ML303

CAT: 0013-GTR19155982-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155982-01Size:200 mg
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Description
ML303 is an antagonist of pyrazolopyridine influenza virus nonstructural protein 1 (NS1) (IC90 : 155 nM) .
CAS Number
1638211-04-7
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
OC1=CC=C (C2=CC=NC3=C2C (C) =NN3C4=CC=C (C (F) (F) F) C=C4) C=C1OC
Molecular Formula
C21H16F3N3O2
Molecular Weight
399.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

ML303
CAS Number1638211-04-7
PubChem CID136141525
IUPAC Name2-methoxy-4-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-4-yl]phenol
Molecular FormulaC21H16F3N3O2
Molecular Weight399.4
XLogP5
Topological Polar Surface Area60.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity556
SMILES
CC1=NN(C2=NC=CC(=C12)C3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O2/c1-12-19-16(13-3-8-17(28)18(11-13)29-2)9-10-25-20(19)27(26-12)15-6-4-14(5-7-15)21(22,23)24/h3-11,28H,1-2H3
InChIKey
YBRHGNCGFMRGSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML303
CAS: 1638211-04-7
CID: 136141525
Formula: C21H16F3N3O2
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass399.11946125
Monoisotopic Mass399.11946125
Topological Polar Surface Area60.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity556
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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A13702-25ML303 25mg
A13702-5ML303 5mg
A13702-10ML303 10mg
A13702-1ML303 1mg
A13702-100ML303 100mg
A13702-50ML303 50mg

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