Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8976766056
Compound
Show structure
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 | 80 USD | 95 | 12 working days | Get Quote |
| 5 mg | 196 USD | 95 | 12 working days | Get Quote |
| 10 mg | 333 USD | 95 | 12 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-8976766056.sdf |
| SMILES | MCULE-8976766056.smiles |
| Standard InChI | MCULE-8976766056.inchi |
| InChIKey | MCULE-8976766056.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872828426 | 95 | As is | in stock |
| P-875770038 | 95 | As is | in stock |
| P-590363255 | 95 | As is | by resynthesis (? - ? days) |
| P-903110361 | 95 | As is | 3.25 g |
| P-893457437 | 90 | As is | 375 mg |
| P-851614492 | N/A | As is | by synthesis |
| P-489206391 | 97 | As is | in stock |
| P-596962417 | 98 | As is | 175 mg |
| P-1273257669 | 95 | As is | by resynthesis (? - ? days) |
| P-864173398 | 95 | As is | in stock |
| P-873439205 | 99 | As is | by synthesis |
| P-851264176 | 95 | As is | by synthesis |
| P-861509621 | 95 | As is | by synthesis |
| P-868660665 | 95 | As is | in stock |
| P-524183135 | 95 | As is | 250 mg |
| P-1268711448 | 95 | As is | by synthesis |
| P-901840274 | 95 | As is | in stock |
| P-584620995 | 95 | As is | in stock |
| P-892292580 | 95 | As is | unavailable |
| P-869139424 | 95 | As is | 443 mg |
| P-888646033 | 95 | As is | 443 mg |
| P-611430625 | 90 | As is | in stock |
| P-1271629365 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 311.788 |
| logP | 3.7132 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 105.48 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 80.9886 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |
