≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Potent and selective sst4 agonist Potent and selective somatostatin sst4 receptor agonist. K|i|values are 0.7, 199, 4720, 1280 and 3880 nM for cloned human sst4, sst1, sst2, sst3 and sst5 receptors respectively. Facilitates AMPA-mediated hippocampal synaptic responses|in vitro|.
| Ki Data | SSTR4: Ki= 0.7 nM (human); SSTR1: Ki= 199 nM (human); SSTR3: Ki= 1.28 μM (human); SSTR5: Ki= 3.88 μM (human); SSTR2: Ki= 4.72 μM (human) |
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| Canonical Smiles | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C1C=C(C=C2F)F)C3=CC=CC=C3.C(=O)(C(F)(F)F)O |
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| IUPAC Name | methyl (2S)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate;2,2,2-trifluoroacetic acid |
| InChIKey | IIRYZHRNVKQVGQ-BDQAORGHSA-N |
| INCHI | 1S/C25H29F2N5O3.C2HF3O2/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15;3-2(4,5)1(6)7/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30);(H,6,7)/t20-;/m0./s1 |
| Isomeric SMILES | COC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C1C=C(C=C2F)F)C3=CC=CC=C3.C(=O)(C(F)(F)F)O |
| Alternate CAS | 1786412-46-1 |
| PubChem CID | 45073436 |
| Molecular Weight | 599.56 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenylindoles |
| Alternative Parents | Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenylpyrroles 3-alkylindoles Fatty acid esters Aryl fluorides N-acyl amines Benzene and substituted derivatives Alpha-halocarboxylic acids Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Carboxylic acids Carboximidamides Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | 2-phenylindole - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 2-phenylpyrrole - Alpha-amino acid or derivatives - 3-alkylindole - Fatty acid ester - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Substituted pyrrole - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Methyl ester - Alpha-halocarboxylic acid - Pyrrole - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Guanidine - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid - Azacycle - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group. |
| External Descriptors | Not available |
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| Solubility | Soluble in DMSO (100 mM), and ethanol (100 mM). |
|---|---|
| Refractive Index | n20D1.61 (Predicted) |
| Molecular Weight | 599.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 12 |
| Exact Mass | 599.217 Da |
| Monoisotopic Mass | 599.217 Da |
| Topological Polar Surface Area | 173.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 813.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
