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HIV-1 Inhibitor 18A

CAT: 0013-GTR19174908-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174908-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HIV-1 Inhibitor 18A is a small molecule entry inhibitor effective against a broad spectrum of HIV-1 isolates. It is a valuable research tool for studying viral entry mechanisms in vitro and for evaluating antiviral strategies in cellular assays, as supported by scientific literature on HIV-1 fusion inhibition.
CAS Number
331261-50-8
Product Name Alternative
HIV 1 Inhibitor 18A, HIV, HIVProtease, HIV1 Inhibitor 18A, HIV-1 Inhibitor 18A, HIV-1 Inhibitor-18A, HIV Protease
Field of Research
Infectious Disease & Virology, Infectious Disease & Virology; Pharmacology & Drug Discovery, Protein Biochemistry
Purity
90.00% (May vary between batches)
Solubility
DMSO:50 mg/mL (159.58 mM)
Smiles
N (C (NN=CC1=CC=C (O) C=C1) =O) C=2C=3C (=NSN3) C=CC2
Molecular Formula
C14H11N5O2S
Molecular Weight
313.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,1,3-benzothiadiazol-4-yl)-3-((E)-(4-hydroxyphenyl)methyleneamino)urea

anti-HIV agent; structure in first source

CAS Number331261-50-8
PubChem CID135411862
IUPAC Name1-(2,1,3-benzothiadiazol-4-yl)-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
Molecular FormulaC14H11N5O2S
Molecular Weight313.34
XLogP2.1
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity414
SMILES
C1=CC2=NSN=C2C(=C1)NC(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C14H11N5O2S/c20-10-6-4-9(5-7-10)8-15-17-14(21)16-11-2-1-3-12-13(11)19-22-18-12/h1-8,20H,(H2,16,17,21)/b15-8+
InChIKey
QRTYYEYYXURINZ-OVCLIPMQSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,1,3-benzothiadiazol-4-yl)-3-((E)-(4-hydroxyphenyl)methyleneamino)urea
CAS: 331261-50-8
CID: 135411862
Formula: C14H11N5O2S
MW: 313.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.34
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass313.06334578
Monoisotopic Mass313.06334578
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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