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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M611902-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,300.90 | |
M611902-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $2,000.90 |
Specifications & Purity | Moligand™ |
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Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of nucleobindin 1 |
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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IUPAC Name | (4-methylpiperazin-1-yl)-(5-nitro-3-phenyl-1H-indol-2-yl)methanone |
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INCHI | InChI=1S/C20H20N4O3/c1-22-9-11-23(12-10-22)20(25)19-18(14-5-3-2-4-6-14)16-13-15(24(26)27)7-8-17(16)21-19/h2-8,13,21H,9-12H2,1H3 |
InChi Key | BLSWPPPBUQFKHH-UHFFFAOYSA-N |
Canonical SMILES | CN1CCN(CC1)C(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-] |
Isomeric SMILES | CN1CCN(CC1)C(=O)C2=C(C3=C(N2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4 |
PubChem CID | 22660592 |
Molecular Weight | 364.400 g/mol |
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XLogP3 | 3.100 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 364.154 Da |
Monoisotopic Mass | 364.154 Da |
Topological Polar Surface Area | 85.200 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 552.000 |
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 |