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BMT-052

CAT: 0931-T26871-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26871-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628720-84-2
Target
HCV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome
Bioactivity
BMT-052 is a potent and selective Pan-genotypic HCV NS5B Polymerase Inhibitor (EC50 = 7 nM) .
Smiles
C(NC)(=O)C=1C=2C(OC1C3=CC=C(F)C=C3)=NC(CCC(F)(F)F)=C(C2)C=4C=C(C(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C=5N=CON5)=O)C(OC([2H])([2H])[2H])=NC4
Molecular Formula
C30H17D9F4N6O5
Molecular Weight
635.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-(trideuteriomethoxy)pyridin-3-yl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CAS Number1628720-84-2
PubChem CID85471549
IUPAC Name2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
Molecular FormulaC30H26F4N6O5
Molecular Weight635.6
XLogP4.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity1030
SMILES
[2H]C([2H])([2H])C(C1=NOC=N1)(C([2H])([2H])[2H])NC(=O)C2=C(N=CC(=C2)C3=C(N=C4C(=C3)C(=C(O4)C5=CC=C(C=C5)F)C(=O)NC)CCC(F)(F)F)OC([2H])([2H])[2H]
InChI
InChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)/i1D3,2D3,4D3
InChIKey
RIVZWIZZJKKNQV-FZGWONOOSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-(trideuteriomethoxy)pyridin-3-yl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CAS: 1628720-84-2
CID: 85471549
Formula: C30H26F4N6O5
MW: 635.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight635.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass635.24657131
Monoisotopic Mass635.24657131
Topological Polar Surface Area145 Ų
Heavy Atom Count45
Formal Charge0
Complexity1030
Isotope Atom Count9
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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