Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7456979975
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 | 21 working days | Get Quote |
| 5 mg | 76 USD | 90 | 21 working days | Get Quote |
| 10 mg | 92 USD | 90 | 21 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.
-
1
MCULE-4282259973
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7456979975.sdf |
| SMILES | MCULE-7456979975.smiles |
| Standard InChI | MCULE-7456979975.inchi |
| InChIKey | MCULE-7456979975.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852197575 | 95 | As is | by synthesis |
| P-613852114 | 98 | As is | by resynthesis (? - ? days) |
| P-610975980 | 90 | As is | 14 g |
| P-489117698 | 97 | As is | in stock |
| P-585295352 | 95 | As is | by resynthesis (? - ? days) |
| P-889824477 | 95 | As is | by synthesis |
| P-901436547 | 95 | As is | by synthesis |
| P-887155917 | 95 | As is | by synthesis |
| P-860612136 | 97 | Main component | by synthesis |
| P-889923021 | 95 | Main component | by synthesis |
| P-613855543 | 95 | Main component | by resynthesis (? - ? days) |
| P-903137106 | 97 | Main component | 5 g |
| P-889773969 | 97 | Main component | in stock |
| P-901430231 | 95 | Main component | by synthesis |
| P-890216210 | 90 | Main component | in stock |
| P-590338644 | 90 | Main component | 1000 mg |
| P-502552175 | 95 | Main component | by synthesis |
| P-905052308 | 95 | Main component | by synthesis |
| P-492274601 | 95 | Main component | 492 mg |
| P-12392242 | 90 | Main component | 492 mg |
| P-611573517 | 90 | Main component | in stock |
| P-886895725 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 203.664 |
| logP | 2.1896 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 55.48 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.5412 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
