Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8725277218
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 | 48 USD | 90 | 22 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 84 USD | 95 | 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.
-
MCULE-7383682629
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8725277218.sdf |
| SMILES | MCULE-8725277218.smiles |
| Standard InChI | MCULE-8725277218.inchi |
| InChIKey | MCULE-8725277218.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852177380 | 95 | As is | by synthesis |
| P-1268854962 | 95 | As is | by synthesis |
| P-904589627 | 95 | As is | by resynthesis (? - ? days) |
| P-886671419 | 95 | As a main component | in stock |
| P-889973941 | 95 | As a main component | by synthesis |
| P-904635412 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1264648770 | 95 | As a main component | 250 mg |
| P-851843269 | N/A | As a main component | by synthesis |
| P-901362342 | 95 | As a main component | by synthesis |
| P-591117078 | 95 | As a main component | by synthesis |
| P-590997933 | 95 | As a main component | by synthesis |
| P-674290578 | 90 | As a main component | in stock |
| P-619321467 | 90 | As a main component | 42 mg |
| P-584604039 | 95 | As a main component | in stock |
| P-617323328 | 90 | As a main component | in stock |
| P-34728736 | 90 | As a main component | by synthesis |
| P-31169592 | 90 | As a main component | 250 mg |
| P-852533324 | N/A | As a main component | by synthesis |
| P-895522487 | 95 | As a main component | by synthesis |
| P-675079042 | 90 | As a main component | in stock |
| P-873216051 | 90 | As a main component | in stock |
| P-22447558 | 90 | As a main component | 91 mg |
| P-888453678 | 94 | As a main component | by resynthesis (? - ? days) |
| P-611612384 | 90 | As a main component | in stock |
| P-617740332 | 90 | As a main component | 447 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.218 |
| logP | 2.652 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 83.87 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.8911 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
