MCULE-5251282165
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 88 USD | 95 | 14 working days | Get Quote |
| 5 mg | 88 USD | 95 | 14 working days | Get Quote |
| 10 mg | 88 USD | 95 | 14 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-7551133280
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5251282165.sdf |
| SMILES | MCULE-5251282165.smiles |
| Standard InChI | MCULE-5251282165.inchi |
| InChIKey | MCULE-5251282165.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886608645 | 95 | As is | in stock |
| P-889925605 | N/A | As is | by synthesis |
| P-613851460 | 98 | As is | in stock |
| P-903145554 | 95 | As is | 2.5 g |
| P-893580276 | 90 | As is | 12.509 g |
| P-851493716 | N/A | As is | by synthesis |
| P-905461256 | 95 | As is | in stock |
| P-590774917 | 95 | As is | by synthesis |
| P-851289068 | 95 | As is | by synthesis |
| P-889033624 | 95 | As is | by synthesis |
| P-580437294 | 95 | As is | by resynthesis (? - ? days) |
| P-905356885 | 97 | As is | 100 mg |
| P-889315185 | 97 | As is | 5.519 g |
| P-590336000 | 90 | As is | 1000 mg |
| P-890213583 | 90 | As is | in stock |
| P-500153401 | 96 | As is | in stock |
| P-869379142 | N/A | As is | in stock |
| P-428013755 | 95 | As is | unavailable |
| P-872796243 | 95 | As is | in stock |
| P-888895774 | N/A | As is | in stock |
| P-904101387 | 97 | As is | 6.67 g |
| P-906819995 | 97 | As is | by synthesis |
| P-611557724 | 90 | As is | in stock |
| P-615461821 | 95 | As is | in stock |
| P-885956952 | 90 | As a main component | by synthesis |
| P-899941774 | N/A | As a main component | by synthesis |
| P-864296231 | 95 | As a main component | by synthesis |
| P-901895190 | 95 | As a main component | by synthesis |
| P-895675065 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 111.142 |
| logP | 1.747 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 39.16 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.3474 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 9 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

