Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7187552471
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 | 10 USD | 95 | 20 working days | Get Quote |
| 5 mg | 10 USD | 95 | 20 working days | Get Quote |
| 10 mg | 10 USD | 95 | 20 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-7187552471.sdf |
| SMILES | MCULE-7187552471.smiles |
| Standard InChI | MCULE-7187552471.inchi |
| InChIKey | MCULE-7187552471.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875704458 | N/A | As is | in stock |
| P-590383586 | 97 | As is | in stock |
| P-903029376 | 98 | As is | 50 g |
| P-893550398 | 90 | As is | 447.756 g |
| P-608446015 | 95 | As is | by synthesis |
| P-851945690 | N/A | As is | in stock |
| P-597006828 | 95 | As is | 50 g |
| P-494320089 | 95 | As is | 5.8 g |
| P-864177830 | 95 | As is | in stock |
| P-616203539 | 95 | As is | 6.25 g |
| P-901510108 | 95 | As is | by synthesis |
| P-492257202 | 95 | As is | in stock |
| P-619928799 | 90 | As is | by synthesis |
| P-436463000 | 95 | As is | in stock |
| P-868565420 | 95 | As is | in stock |
| P-580431335 | 95 | As is | by resynthesis (? - ? days) |
| P-861922014 | 97 | As is | 73.756 g |
| P-18807269 | 95 | As is | 2.844 g |
| P-454386293 | 95 | As is | 2.844 g |
| P-31178551 | 90 | As is | unavailable |
| P-580473355 | N/A | As is | by synthesis |
| P-852378097 | N/A | As is | in stock |
| P-35219580 | 90 | As is | 3.669 kg |
| P-855396432 | 95 | As is | in stock |
| P-500388481 | 98 | As is | by synthesis |
| P-889865587 | 95 | As is | by synthesis |
| P-498640573 | 95 | As is | by synthesis |
| P-502330270 | 90 | As is | in stock |
| P-906793930 | 95 | As is | by synthesis |
| P-611456695 | 90 | As is | in stock |
| P-615449011 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.163 |
| logP | 1.8355 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 78.1 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 47.5249 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
