| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2005 | 25 | Yes |
(E)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid
(Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid
(Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid
(Z)-5-Fluoro-2-methyl-1-[[4-(methyl-sulfinyl)phenyl]methylene]-1H-indene-3-acetic acid
1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-, (Z)-
2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
38194-50-2; Clinoril (TN); D00120; Sulindac (JP16/USP/INN)
38194-50-2; Prestwick_456; Sulindac
5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid
Cahill May Roberts Brand of Sulindac
cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid
cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid
CPD000326718; SAM002554933; Sulindac
Merck Sharp & Dohme Brand of Sulindac
Sulindacum; sulindac; sulindaco
Z-5-Fluoro-2-methyl-1-[p-(methlsulfinyl)benzylidene]indene-3-acetic acid
[(1E)-5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid
{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid
{(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid
{5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1h-inden-3-yl}acetic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.15 | 10.74 | -59.16 | 0 | 3 | -1 | 57 | 355.41 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 182-185°C | Indofine |
| ALOGPS_SOLUBILITY | 2.51e-02 g/l | DrugBank-approved |
| MP | 88-90o C | Indofine |
| Purity | 95% | Fluorochem |
| therap | antiinflammatory | MicroSource Spectrum |
| Indications | arthritis | KeyOrganics Bioactives |
| SOLUBILITY | Chloroform | Indofine |
| Therapy | COX inhibitor; Anti-inflammatory | SMDC Iconix |
| Patent Database Links | EP0908186; EP1088550; EP1405646; EP1466897; EP1493439; EP1520590; EP1679301; EP1710257; EP1743630; EP1743654; EP1764111; EP1767223; EP1785145; EP1889847; EP1905427; EP1920773; EP1932516; EP1938803; EP1974739; EP1990049; EP1992355; GB2321455; US2001006962 | ChEBI |
| UniProt Database Links | FMO3_HUMAN; S226A_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : S-2641; NCC_SUPPLIER_SAMPLE_COMMENTS : YELLOW POWDER | NIH Clinical Collection via PubChem |
| Indications | NSAID | KeyOrganics Bioactives |
| Target | NULL | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: S-2641; SUPPLIER_COMMENTS: YELLOW POWDER | NIH Clinical Collection via PubChem |
