Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8661152967-0
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 | 24 USD | 98 | 12 working days | Get Quote |
| 5 mg | 24 USD | 98 | 12 working days | Get Quote |
| 10 mg | 24 USD | 98 | 12 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-8457338653-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8661152967-0.sdf |
| SMILES | MCULE-8661152967-0.smiles |
| Standard InChI | MCULE-8661152967-0.inchi |
| InChIKey | MCULE-8661152967-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-861286906 | 98 | As is | in stock |
| P-611460042 | 90 | As is | in stock |
| P-867648080 | N/A | Main component | in stock |
| P-875815564 | 99 | Main component | in stock |
| P-894680663 | 95 | Main component | by resynthesis (? - ? days) |
| P-893607497 | 90 | Main component | 1.241 g |
| P-1270287738 | 99 | Main component | in stock |
| P-606846121 | N/A | Main component | in stock |
| P-865924045 | 99 | Main component | 250 mg |
| P-1273454694 | 95 | Main component | by resynthesis (? - ? days) |
| P-896025104 | 95 | Main component | in stock |
| P-605420725 | 99 | Main component | 1.024 g |
| P-868361672 | 95 | Main component | by synthesis |
| P-861378438 | 95 | Main component | by synthesis |
| P-868658913 | 95 | Main component | in stock |
| P-868078514 | 95 | Main component | in stock |
| P-855927434 | 97 | Main component | 10 mg |
| P-854717150 | 95 | Main component | in stock |
| P-896628462 | 95 | Main component | by synthesis |
| P-878641818 | 98 | Main component | in stock |
| P-617403132 | 98 | Main component | in stock |
| P-892294390 | 95 | Main component | unavailable |
| P-869160223 | 95 | Main component | 237 mg |
| P-888655571 | 95 | Main component | 237 mg |
| P-1271665204 | 99 | Main component | in stock |
| P-875819477 | 98 | Main component as a main component | in stock |
| P-903181156 | 98 | Main component as a main component | 5 g |
| P-1264053076 | 98 | Main component as a main component | in stock |
| P-1274608974 | 95 | Main component as a main component | by synthesis |
| P-868617984 | 98 | Main component as a main component | in stock |
| P-854707781 | 95 | Main component as a main component | by synthesis |
| P-899991958 | 95 | Main component as a main component | by synthesis |
| P-1263957245 | 90 | Main component as a main component | in stock |
| P-906767912 | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 418.486 |
| logP | 1.9294 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 108.13 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 121.9796 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 30 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
