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| SKU | Size | Availability |
Price | Qty |
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X427046-1ml
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1ml |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$241.90
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| Synonyms | XL019 | 945755-56-6 | (S)-N-(4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)phenyl)pyrrolidine-2-carboxamide | XL-019 | 4L1AM42NVA | (2S)-N-[4-[2-[[4-(4-Morpholinyl)phenyl]amino]-4-pyrimidinyl]phenyl]-2-pyrrolidinecarboxamide | (2S)-N-[4-(2-{[4-(MORPHOLIN-4-YL)PHENYL |
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| Specifications & Purity | Moligand™, 10mM in DMSO |
| Biochemical and Physiological Mechanisms |
Description: |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2;Inhibitor of Janus kinase 3 |
Taxonomy Tree
| Kingdom | Organic compounds |
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| 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 | Proline and derivatives |
| Alternative Parents | Phenylpyrimidines Phenylmorpholines Alpha amino acid amides Anilides Pyrrolidinecarboxamides N-arylamides Dialkylarylamines Aniline and substituted anilines Aminopyrimidines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Dialkylamines Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Proline or derivatives - Alpha-amino acid amide - Phenylmorpholine - 4-phenylpyrimidine - Anilide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Pyrimidine - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Secondary amine - Oxacycle - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline 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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| IUPAC Name | (2S)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide |
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| INCHI | InChI=1S/C25H28N6O2/c32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31/h3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30)/t23-/m0/s1 |
| InChIKey | ISOCDPQFIXDIMS-QHCPKHFHSA-N |
| Smiles | C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5 |
| Isomeric SMILES | C1C[C@H](NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5 |
| PubChem CID | 57990869 |
| Molecular Weight | 444.53 |
| Molecular Weight | 444.500 g/mol |
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| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 444.227 Da |
| Monoisotopic Mass | 444.227 Da |
| Topological Polar Surface Area | 91.400 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 614.000 |
| 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 |