Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
RG1678 (Bitopertin) is a potent and noncompetitive glycine reuptake inhibitor (GlyT1)
RG1678 (Bitopertin) is a potent and noncompetitive glycine reuptake inhibitor (GlyT1). Recent Phase II data shows that RG1678 is effective in reducing the negative symptoms when given in combination with second generation antipsychotics.
| ALogP | 4 |
|---|
| Canonical Smiles | CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F |
|---|---|
| IUPAC Name | [4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone |
| InChIKey | YUUGYIUSCYNSQR-LBPRGKRZSA-N |
| INCHI | 1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1 |
| Isomeric SMILES | C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F |
| Molecular Weight | 543.46 |
| Reaxy-Rn | 12199870 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12199870&ln= |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Benzenesulfonyl compounds Benzamides Phenoxy compounds Phenol ethers Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Aryl fluorides Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Heteroaromatic compound - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organosulfur compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
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| Molecular Weight | 543.500 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 5 |
| Exact Mass | 543.106 Da |
| Monoisotopic Mass | 543.106 Da |
| Topological Polar Surface Area | 88.200 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 872.000 |
| 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 |
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