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| SKU | Size | Availability |
Price | Qty |
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H614057-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,334.90
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H614057-25mg
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25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$2,001.90
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|
| Synonyms | DTXCID5028900 | HMS3268N16 | NCGC00092377-04 | PDSP1_000669 | 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]]morpholine | BDBM50000714 | DTXSID5048974 | MS-28313 | L001111 | 3-[7-(2-chlorophenyl)-13-met |
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| Specifications & Purity | Moligand™ |
| Grade | Moligand™ |
| Action Type | ANTAGONIST |
| Mechanism of action | Antagonist of PAF receptor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienodiazepines |
| Alternative Parents | 2,3,5-trisubstituted thiophenes 1,4-diazepines Chlorobenzenes Aryl chlorides Morpholines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - Para-diazepine - Halobenzene - Chlorobenzene - Morpholine - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiophene - Azole - 1,2,4-triazole - Heteroaromatic compound - Ketimine - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Carbonyl group - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms. |
| External Descriptors | Not available |
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| IUPAC Name | 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one |
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| INCHI | InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3 |
| InChIKey | JGPJQFOROWSRRS-UHFFFAOYSA-N |
| Smiles | O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl |
| Isomeric SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl |
| PubChem CID | 65889 |
| Molecular Weight | 456.000 g/mol |
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| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 455.118 Da |
| Monoisotopic Mass | 455.118 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 691.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |