≥98%(HPLC) 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.
Product description：
NTRC-824 (Compound 5) is a potent, selective and neurotensin-like nonpeptide neurotensin receptor type 2 (NTS2) antagonist with an IC50 of 38 nM and a Ki of 202 nM. NTRC-824 is >150-fold selectivity for NTS2 over NTS1 (Ki >30 μM).
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3C(=O)C(F)(F)F)CC(=O)NC(CC(C)C)C(=O)O |
|---|---|
| IUPAC Name | (2S)-4-methyl-2-[[2-[5-[(4-methylphenyl)sulfonylamino]-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]amino]pentanoic acid |
| InChIKey | SOOLLEBJNGCDOZ-FQEVSTJZSA-N |
| INCHI | 1S/C25H26F3N3O6S/c1-14(2)10-20(24(34)35)29-22(32)13-31-12-19(23(33)25(26,27)28)18-11-16(6-9-21(18)31)30-38(36,37)17-7-4-15(3)5-8-17/h4-9,11-12,14,20,30H,10,13H2,1-3H3,(H,29,32)(H,34,35)/t20-/m0/s1 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3C(=O)C(F)(F)F)CC(=O)N[C@@H](CC(C)C)C(=O)O |
| PubChem CID | 101873359 |
| Molecular Weight | 553.55 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Leucine and derivatives |
| Alternative Parents | N-acyl-L-alpha-amino acids P-toluenesulfonamides Sulfanilides N-alkylindoles Benzenesulfonamides Indoles Benzenesulfonyl compounds Aryl alkyl ketones Substituted pyrroles Organosulfonamides Vinylogous amides Alpha-haloketones Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - P-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - N-alkylindole - Tosyl compound - Benzenesulfonyl group - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Substituted pyrrole - Alpha-haloketone - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 55.35, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 55.35, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 553.600 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 553.149 Da |
| Monoisotopic Mass | 553.149 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 976.000 |
| 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 | 1 |
