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UC-781

CAT: 0931-T29037-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29037-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
178870-32-1
Target
Antiviral, HIV Protease
Related Pathways
Microbiology/Virology, Proteases/Proteasome, Immunology/Inflammation
Purity
0.9217
Bioactivity
UC-781 (NSC-675186) is a potent and selective inhibitor of human immunodeficiency virus HIV-1 non-nucleoside reverse transcriptase (NNRTI) I with a C50 value of 5 nM.UC-781 exhibits both antiviral activity and drug resistance.UC-781 is in a stable state, and is unaffected by lower pH or varying temperatures.
Smiles
N(C(=S)C1=C(C)OC=C1)C2=CC(OCC=C(C)C)=C(Cl)C=C2
Molecular Formula
C17H18ClNO2S
Molecular Weight
335.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

UC-781

UC-781 is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor (NNRTI). It is a topical microbicide targeted against the AIDS virus.

CAS Number178870-32-1
PubChem CID3000926
IUPAC NameN-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methylfuran-3-carbothioamide
Molecular FormulaC17H18ClNO2S
Molecular Weight335.8
XLogP4.9
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity411
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C
InChI
InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKey
YZHIXLCGPOTQNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UC-781
CAS: 178870-32-1
CID: 3000926
Formula: C17H18ClNO2S
MW: 335.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.8
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass335.0746777
Monoisotopic Mass335.0746777
Topological Polar Surface Area66.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity411
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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