MCULE-9127995090-0
- 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 | 3 USD | 99 | 14 working days | Get Quote |
| 5 mg | 3 USD | 99 | 14 working days | Get Quote |
| 10 mg | 3 USD | 99 | 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.
| Name | File |
|---|---|
| SDF | MCULE-9127995090-0.sdf |
| SMILES | MCULE-9127995090-0.smiles |
| Standard InChI | MCULE-9127995090-0.inchi |
| InChIKey | MCULE-9127995090-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535625 | 95 | As is | in stock |
| P-875691089 | 95 | As is | in stock |
| P-1275199162 | 98 | As is | in stock |
| P-1275152756 | 95 | As is | in stock |
| P-903011378 | 99 | As is | 3.5 kg |
| P-905476826 | 97 | As is | 100 g |
| P-1270393733 | 95 | As is | in stock |
| P-580237774 | 95 | As is | by synthesis |
| P-851949947 | N/A | As is | in stock |
| P-489151286 | 97 | As is | in stock |
| P-596974622 | 99 | As is | 840 g |
| P-494352250 | 95 | As is | 30 g |
| P-864111117 | 96 | As is | in stock |
| P-611004473 | 95 | As is | 630 g |
| P-851272277 | 95 | As is | by synthesis |
| P-868647418 | 80 | As is | in stock |
| P-580442815 | 95 | As is | by resynthesis (? - ? days) |
| P-861929276 | 95 | As is | 3.77623 kg |
| P-905329742 | 95 | As is | 51 g |
| P-901365242 | 95 | As is | 135 g |
| P-600955523 | 97 | As is | in stock |
| P-503017975 | 90 | As is | by synthesis |
| P-454286850 | 90 | As is | 100 mg |
| P-579614925 | 98 | As is | in stock |
| P-581744703 | 95 | As is | in stock |
| P-1272581289 | 95 | As is | 400 g |
| P-852443894 | N/A | As is | by synthesis |
| P-854723867 | 95 | As is | in stock |
| P-620223340 | 95 | As is | 1000 mg |
| P-620068277 | 90 | As is | 1000 mg |
| P-500370651 | 98 | As is | by synthesis |
| P-889881148 | 95 | As is | by synthesis |
| P-23116401 | 90 | As is | in stock |
| P-906758291 | 98 | As is | by synthesis |
| P-611384989 | 90 | As is | in stock |
| P-1271666326 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.558 |
| logP | 1.6506 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 43.37 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.198 |
| Atoms | 15 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

