Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8504488677-0
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 | 47 USD | 95 | 14 working days | Get Quote |
| 10 mg | 47 USD | 95 | 14 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.
-
MCULE-9483861317-1
- Component type: Main
-
MCULE-6908621427-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8504488677-0.sdf |
| SMILES | MCULE-8504488677-0.smiles |
| Standard InChI | MCULE-8504488677-0.inchi |
| InChIKey | MCULE-8504488677-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502887198 | 90 | As is | in stock |
| P-492237229 | 95 | As is | in stock |
| P-579616237 | 95 | As is | 25 g |
| P-31273357 | 90 | As is | 30 mg |
| P-491221566 | 95 | As is | by synthesis |
| P-19585161 | 90 | As is | in stock |
| P-1580421 | 90 | As is | 31 mg |
| P-901246669 | N/A | As a main component | by synthesis |
| P-893275345 | 97 | As a main component | in stock |
| P-903400859 | 95 | As a main component | 100 mg |
| P-905467099 | 95 | As a main component | in stock |
| P-1263268107 | 95 | As a main component | by synthesis |
| P-905411036 | 98 | As a main component | 4.9 g |
| P-895241087 | 95 | As a main component | by synthesis |
| P-904641885 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.267 |
| logP | 1.9952 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 50.08 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.8487 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| 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 |
