Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
A607860-5mg
|
5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,000.90
|
|
|
A607860-25mg
|
25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,700.90
|
|
| Synonyms | 1W47471992 | AKOS040741194 | CS-0116098 | UNII-1W47471992 | 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide | SCHEMBL2492309 | 1229603-37-5 | SRWQVWAIVQXPJY-QGZVFWFLSA-N | AZD2423 | AZD-2423 | HY-135891 | AZD |
|---|---|
| Specifications & Purity | Moligand™ |
| Grade | Moligand™ |
| Action Type | ALLOSTERIC MODULATOR |
| Mechanism of action | Allosteric modulator of CCR2 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| IUPAC Name | 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-chloro-3-fluorophenyl)piperazine-1-carboxamide |
|---|---|
| INCHI | InChI=1S/C19H27ClFN5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1 |
| InChIKey | WERHXSXPOAOBJV-QGZVFWFLSA-N |
| Smiles | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl |
| Isomeric SMILES | CC(C)(C)N1CCN[C@H](C1)C(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)F |
| PubChem CID | 46213922 |
| Molecular Weight | 425.900 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 425.199 Da |
| Monoisotopic Mass | 425.199 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 594.000 |
| 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 |