Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9765788290-0
Structure
Show compound
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 USD | 90 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-9765788290-0.sdf |
| SMILES | MCULE-9765788290-0.smiles |
| Standard InChI | MCULE-9765788290-0.inchi |
| InChIKey | MCULE-9765788290-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886530649 | 95 | As is | in stock |
| P-875707965 | N/A | As is | in stock |
| P-612937218 | 95 | As is | in stock |
| P-903033520 | 95 | As is | 5 g |
| P-851719690 | N/A | As is | by synthesis |
| P-596464402 | 90 | As is | 1000 mg |
| P-596518197 | 90 | As is | 1000 mg |
| P-889801430 | 95 | As is | by synthesis |
| P-591043955 | 95 | As is | by synthesis |
| P-454692675 | 90 | As is | in stock |
| P-436446683 | 95 | As is | 10 g |
| P-34870585 | 90 | As is | in stock |
| P-868631391 | 95 | As is | in stock |
| P-596586253 | 90 | As is | 1000 mg |
| P-588253750 | N/A | As is | by synthesis |
| P-852392876 | N/A | As is | in stock |
| P-854918170 | 95 | As is | by synthesis |
| P-885522690 | 95 | As is | by synthesis |
| P-424810796 | 90 | As is | in stock |
| P-12903192 | 90 | As is | 296 mg |
| P-22645664 | 90 | As is | in stock |
| P-502333328 | 90 | As is | in stock |
| P-888439125 | 94 | As is | by resynthesis (? - ? days) |
| P-611590129 | 90 | As is | in stock |
| P-3217762 | 90 | As is | 7.49 g |
| P-1068005 | 90 | As is | 7.49 g |
| P-893750416 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.226 |
| logP | 2.237 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.0928 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
