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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SKU | Size | Availability | Price | Qty |
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M612067-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,334.90 | |
M612067-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,000.90 |
Synonyms | compound 20 [Yu et al., 2018] |
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Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of P2Y 14 receptor |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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IUPAC Name | 3-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid |
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INCHI | InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35) |
InChi Key | VYXSDIPOJBFWHQ-UHFFFAOYSA-N |
Canonical SMILES | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O |
Isomeric SMILES | C1=CC(=CC=C1C2=CN(N=N2)C3=CC(=CC(=C3)C(=O)O)C4=CC=C(S4)C(=O)NCCCN)C(F)(F)F |
PubChem CID | 134611895 |
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1. Yu J, Ciancetta A, Dudas S, Duca S, Lottermoser J, Jacobson KA. (2018) Structure-Guided Modification of Heterocyclic Antagonists of the P2Y14 Receptor.. J Med Chem, 61 (11): (4860-4882). [PMID:29767967] |