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UC-781

CAT: 0013-GTR19196265-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196265-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UC-781 (NSC-675186) is a highly potent and selective HIV-1 NNRTI with an IC50 of 5 nM, exhibiting both antiviral and resistance properties. It is a stable compound under various pH and temperature conditions. This molecule is a key research tool for studying HIV-1 reverse transcriptase inhibition and resistance mechanisms in vitro.
CAS Number
178870-32-1
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Protein Biochemistry
Purity
92.17% (May vary between batches)
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
Storage Conditions
-20°C
Notes
For research use only.

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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