Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4777557106
Compound
Show structures
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 36 USD | 98 | 22 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-4777557106.sdf |
| SMILES | MCULE-4777557106.smiles |
| Standard InChI | MCULE-4777557106.inchi |
| InChIKey | MCULE-4777557106.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867644667 | 98 | As is | in stock |
| P-875811033 | 98 | As is | in stock |
| P-874656797 | 98 | As is | by resynthesis (? - ? days) |
| P-903170743 | 99 | As is | 250 mg |
| P-610984186 | 90 | As is | 7.085 g |
| P-617046742 | 95 | As is | by resynthesis (? - ? days) |
| P-606909309 | N/A | As is | in stock |
| P-619201785 | 99 | As is | 500 mg |
| P-1273452055 | 95 | As is | by resynthesis (? - ? days) |
| P-895929981 | 95 | As is | by resynthesis (? - ? days) |
| P-596429197 | 90 | As is | 53 mg |
| P-596494322 | 90 | As is | 53 mg |
| P-864142874 | 95 | As is | in stock |
| P-860056265 | 98 | As is | by synthesis |
| P-892407325 | 98 | As is | by synthesis |
| P-901554991 | 95 | As is | by synthesis |
| P-6246190 | 90 | As is | 50 mg |
| P-851261373 | 95 | As is | by synthesis |
| P-861368863 | 95 | As is | by synthesis |
| P-579480595 | 95 | As is | in stock |
| P-870661438 | N/A | As is | in stock |
| P-868078636 | 95 | As is | in stock |
| P-1273109950 | 97 | As is | 100 mg |
| P-854720940 | 95 | As is | in stock |
| P-474024339 | 95 | As is | in stock |
| P-608276812 | 98 | As is | in stock |
| P-889882167 | 95 | As is | by synthesis |
| P-617403376 | 98 | As is | in stock |
| P-12466358 | 90 | As is | 131 mg |
| P-892293151 | 95 | As is | unavailable |
| P-869147017 | 95 | As is | 48 mg |
| P-888649110 | 95 | As is | 48 mg |
| P-23030552 | 94 | As is | by resynthesis (? - ? days) |
| P-873038062 | 90 | As is | 5 mg |
| P-906763412 | 99 | As is | by synthesis |
| P-611404245 | 90 | As is | in stock |
| P-666984525 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 277.344 |
| logP | 1.6261 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 87.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 82.6337 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
