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GCA-186

CAT: 0013-GTR19200283-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200283-02Size:50 mg
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Description
GCA-186 is a potent small molecule inhibitor targeting the HIV-1 reverse transcriptase via a non-nucleoside mechanism. It is a valuable research tool for investigating antiviral strategies and has demonstrated inhibitory activity in both biochemical and cell-based assays.
CAS Number
149950-61-8
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (C1=C (C (C) C) C (=O) NC (=O) N1COCC) C2=CC (C) =CC (C) =C2
Molecular Formula
C19H26N2O3
Molecular Weight
330.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil

6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil is a pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by ethoxymethyl, isopropyl, and 3,5-dimethylbenzyl groups, respectively. It is functionally related to a uracil.

CAS Number149950-61-8
PubChem CID3457
IUPAC Name6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
Molecular FormulaC19H26N2O3
Molecular Weight330.4
XLogP3.3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity503
SMILES
CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23)
InChIKey
NVGVZWUORYLPAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
CAS: 149950-61-8
CID: 3457
Formula: C19H26N2O3
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass330.19434270
Monoisotopic Mass330.19434270
Topological Polar Surface Area58.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity503
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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