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VU0621623

CAT: 0931-T71996-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T71996-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1115899-15-4
Target
Others
Related Pathways
Others
Bioactivity
VU0621623 is an arenavirus multiplication inhibitor which blocks lymphocytic choriomeningitis virus (LCMV) cell entry.
Smiles
C(C(NC1=CC(F)=CC(F)=C1)=O)N2C3=C(SC(=N3)N4CCCC4)C(=O)N(CCC)C2=O
Molecular Formula
C20H21F2N5O3S
Molecular Weight
449.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3,5-difluorophenyl)-2-(5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydrothiazolo[4,5-d]pyrimidin-4(5H)-yl)acetamide
CAS Number1115899-15-4
PubChem CID46391059
IUPAC NameN-(3,5-difluorophenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
Molecular FormulaC20H21F2N5O3S
Molecular Weight449.5
XLogP3.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity700
SMILES
CCCN1C(=O)C2=C(N=C(S2)N3CCCC3)N(C1=O)CC(=O)NC4=CC(=CC(=C4)F)F
InChI
InChI=1S/C20H21F2N5O3S/c1-2-5-26-18(29)16-17(24-19(31-16)25-6-3-4-7-25)27(20(26)30)11-15(28)23-14-9-12(21)8-13(22)10-14/h8-10H,2-7,11H2,1H3,(H,23,28)
InChIKey
QORLVVKPDILQDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,5-difluorophenyl)-2-(5,7-dioxo-6-propyl-2-(pyrrolidin-1-yl)-6,7-dihydrothiazolo[4,5-d]pyrimidin-4(5H)-yl)acetamide
CAS: 1115899-15-4
CID: 46391059
Formula: C20H21F2N5O3S
MW: 449.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass449.13331705
Monoisotopic Mass449.13331705
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity700
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
MBS5814498VU0621623

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