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HSV-1/HSV-2-IN-1

CAT: 0931-T62075-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62075-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2490468-31-8
Target
HSV, Others, Virus Protease
Related Pathways
Others, Microbiology/Virology
Bioactivity
HSV-1/HSV-2-IN-1 is an HSV-1 and HSV-2 inhibitor effective against HSV-1 (KOS) (EC50: 7.6 μM), HSV-2 (G) (EC50: 7.6 μM), HSV-1 TK-KOS ACVr (EC50: 4 μM), and cowpox virus (EC50: 12 μM) .
Smiles
N(NC(NC1=CC=C(C(F)(F)F)C=C1)=S)=C2C=3C(N(CC)C2=O)=CC=C(F)C3
Molecular Formula
C18H14F4N4OS
Molecular Weight
410.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hsv-1/hsv-2-IN-1
CAS Number2490468-31-8
PubChem CID156828442
IUPAC Name1-(1-ethyl-5-fluoro-2-hydroxyindol-3-yl)imino-3-[4-(trifluoromethyl)phenyl]thiourea
Molecular FormulaC18H14F4N4OS
Molecular Weight410.4
XLogP5.2
Topological Polar Surface Area94
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity582
SMILES
CCN1C2=C(C=C(C=C2)F)C(=C1O)N=NC(=S)NC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H14F4N4OS/c1-2-26-14-8-5-11(19)9-13(14)15(16(26)27)24-25-17(28)23-12-6-3-10(4-7-12)18(20,21)22/h3-9,27H,2H2,1H3,(H,23,28)
InChIKey
ZRIUIVFMUCYHHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hsv-1/hsv-2-IN-1
CAS: 2490468-31-8
CID: 156828442
Formula: C18H14F4N4OS
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass410.08244490
Monoisotopic Mass410.08244490
Topological Polar Surface Area94 Ų
Heavy Atom Count28
Formal Charge0
Complexity582
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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