Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7313425280
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 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-7313425280.sdf |
| SMILES | MCULE-7313425280.smiles |
| Standard InChI | MCULE-7313425280.inchi |
| InChIKey | MCULE-7313425280.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892868860 | 95 | As is | in stock |
| P-901280779 | 95 | As is | in stock |
| P-869224173 | 95 | As is | by resynthesis (? - ? days) |
| P-1275271124 | N/A | As is | 50 mg |
| P-851566204 | N/A | As is | by synthesis |
| P-1275520896 | 95 | As is | by resynthesis (? - ? days) |
| P-901362967 | 95 | As is | by synthesis |
| P-591172198 | 95 | As is | by synthesis |
| P-454735792 | 90 | As is | in stock |
| P-4538109 | 90 | As is | 1 mg |
| P-436474386 | 95 | As is | in stock |
| P-34862099 | 90 | As is | in stock |
| P-861527337 | 95 | As is | by synthesis |
| P-596586284 | 90 | As is | 500 mg |
| P-588254173 | N/A | As is | by synthesis |
| P-852534232 | N/A | As is | by synthesis |
| P-491121623 | 95 | As is | by synthesis |
| P-19585275 | 90 | As is | in stock |
| P-502374820 | 90 | As is | in stock |
| P-899594077 | 90 | As is | 49 mg |
| P-855354475 | 90 | As is | in stock |
| P-3218089 | 90 | As is | 1.999 g |
| P-1417515 | 90 | As is | 1.999 g |
| P-1271514806 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.242 |
| logP | 2.2171 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 51.21 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 63.411 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
