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MK-3281

CAT: 0931-T33432-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33432-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
886041-60-7
Target
Others, HCV Protease
Related Pathways
Others, Proteases/Proteasome, Microbiology/Virology
Bioactivity
MK-3281 is a potent, orally bioavailable hepatitis C virus NS5B polymerase finger-loop inhibitor. It is also an inhibitor of attractive molecular properties with good potency in HCV subgenomic replication trials and suitable for clinical candidates.
Smiles
N(CCN(C)C)(C)[C@@H]1CN2C(=C(C=3C2=CC(C(O)=O)=CC3)C4CCCCC4)C=5C(OC1)=CC=CC5
Molecular Formula
C29H37N3O3
Molecular Weight
475.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mk 3281
CAS Number886041-60-7
PubChem CID49800096
IUPAC Name(10R)-19-cyclohexyl-10-[2-(dimethylamino)ethyl-methylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylic acid
Molecular FormulaC29H37N3O3
Molecular Weight475.6
XLogP3.3
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity711
SMILES
CN(C)CCN(C)[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=CC=CC=C4OC1)C5CCCCC5
InChI
InChI=1S/C29H37N3O3/c1-30(2)15-16-31(3)22-18-32-25-17-21(29(33)34)13-14-23(25)27(20-9-5-4-6-10-20)28(32)24-11-7-8-12-26(24)35-19-22/h7-8,11-14,17,20,22H,4-6,9-10,15-16,18-19H2,1-3H3,(H,33,34)/t22-/m1/s1
InChIKey
YQUCBFIQSJVCOR-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Mk 3281
CAS: 886041-60-7
CID: 49800096
Formula: C29H37N3O3
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass475.28349205
Monoisotopic Mass475.28349205
Topological Polar Surface Area57.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes