MCULE-5888343819-0
- 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 | 72 USD | 97 | 14 working days | Get Quote |
| 5 mg | 72 USD | 97 | 14 working days | Get Quote |
| 10 mg | 72 USD | 97 | 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-5888343819-0.sdf |
| SMILES | MCULE-5888343819-0.smiles |
| Standard InChI | MCULE-5888343819-0.inchi |
| InChIKey | MCULE-5888343819-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875770960 | 97 | As is | in stock |
| P-590403723 | 97 | As is | by resynthesis (? - ? days) |
| P-903111223 | 97 | As is | 2 g |
| P-1270369651 | 97 | As is | in stock |
| P-489151525 | 97 | As is | in stock |
| P-619155711 | 97 | As is | 2 g |
| P-1273396638 | 95 | As is | by resynthesis (? - ? days) |
| P-864086007 | 97 | As is | in stock |
| P-4283387 | 90 | As is | 30 mg |
| P-851243883 | 95 | As is | by synthesis |
| P-861557738 | 97 | As is | by synthesis |
| P-861963608 | 97 | As is | 2 g |
| P-855919476 | 97 | As is | 100 mg |
| P-1272595104 | 97 | As is | 1000 mg |
| P-852502889 | 97 | As is | by synthesis |
| P-854808609 | 95 | As is | by synthesis |
| P-873223534 | 90 | As is | in stock |
| P-22483656 | 90 | As is | 80 mg |
| P-906875915 | 97 | As is | by synthesis |
| P-1271681960 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.220 |
| logP | 2.2154 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.879 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

