MCULE-8437414448
- 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 | 13 USD | 95 | 20 working days | Get Quote |
| 5 mg | 13 USD | 95 | 20 working days | Get Quote |
| 10 mg | 13 USD | 95 | 20 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-8437414448.sdf |
| SMILES | MCULE-8437414448.smiles |
| Standard InChI | MCULE-8437414448.inchi |
| InChIKey | MCULE-8437414448.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561864 | 95 | As is | in stock |
| P-901257571 | 98 | As is | in stock |
| P-903051307 | 95 | As is | 25.5 g |
| P-619202358 | 95 | As is | 20.25 g |
| P-1275496178 | 95 | As is | 1.4 g |
| P-889792273 | 95 | As is | in stock |
| P-868612740 | 95 | As is | in stock |
| P-580416818 | 95 | As is | by resynthesis (? - ? days) |
| P-889311256 | 95 | As is | 6.9 g |
| P-596563500 | 97 | As is | 1000 mg |
| P-31257825 | 90 | As is | unavailable |
| P-860790710 | 99 | As is | by synthesis |
| P-1272503805 | 95 | As is | in stock |
| P-500387805 | 98 | As is | by synthesis |
| P-906904338 | 99 | As is | in stock |
| P-855348576 | 90 | As is | in stock |
| P-615420405 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 160.237 |
| logP | 3.1285 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 38.8 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.2 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 1 |
| N/O atoms | 0 |
| 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 |

