Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6984688704-0
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 | 19 USD | 98 | 22 working days | Get Quote |
| 5 mg | 29 USD | 98 | 14 working days | Get Quote |
| 10 mg | 32 USD | 98 | 22 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-7356052600-0
- Component type: Main
-
1
MCULE-1176533515-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6984688704-0.sdf |
| SMILES | MCULE-6984688704-0.smiles |
| Standard InChI | MCULE-6984688704-0.inchi |
| InChIKey | MCULE-6984688704-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634434 | 98 | Main component | in stock |
| P-875799452 | 98 | Main component | in stock |
| P-590361793 | 98 | Main component | by resynthesis (? - ? days) |
| P-505394000 | 95 | Main component | by resynthesis (? - ? days) |
| P-903153460 | 98 | Main component | 750 mg |
| P-1264055691 | 99 | Main component | in stock |
| P-893472624 | 90 | Main component | 12.868 g |
| P-1270274107 | 98 | Main component | in stock |
| P-606921652 | N/A | Main component | in stock |
| P-489220140 | 97 | Main component | in stock |
| P-596967295 | 98 | Main component | 250 mg |
| P-1273281611 | 95 | Main component | by resynthesis (? - ? days) |
| P-889544213 | 95 | Main component | in stock |
| P-580719600 | 98 | Main component | 1.006 g |
| P-871219041 | N/A | Main component | by resynthesis (? - ? days) |
| P-851249664 | 95 | Main component | by synthesis |
| P-860799906 | 98 | Main component | in stock |
| P-861513764 | 95 | Main component | by synthesis |
| P-579480132 | 95 | Main component | in stock |
| P-868079273 | 95 | Main component | in stock |
| P-524166285 | 95 | Main component | 1 mg |
| P-1272595422 | 97 | Main component | 200 mg |
| P-852503581 | 97 | Main component | by synthesis |
| P-854721555 | 95 | Main component | in stock |
| P-1272497598 | 95 | Main component | by synthesis |
| P-896070641 | 95 | Main component | in stock |
| P-869175236 | 95 | Main component | unavailable |
| P-888664970 | 95 | Main component | unavailable |
| P-906840350 | 98 | Main component | by synthesis |
| P-855065735 | 90 | Main component | in stock |
| P-868496652 | 98 | Main component | in stock |
| P-875799451 | N/A | Main component as a main component | in stock |
| P-595215369 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| P-903153459 | 98 | Main component as a main component | 15 mg |
| P-1275260479 | 95 | Main component as a main component | in stock |
| P-1270310785 | 98 | Main component as a main component | in stock |
| P-889752631 | N/A | Main component as a main component | in stock |
| P-895100697 | 98 | Main component as a main component | 25 mg |
| P-1273258609 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1268702940 | 95 | Main component as a main component | in stock |
| P-890245568 | 98 | Main component as a main component | 24 mg |
| P-861512893 | 95 | Main component as a main component | by synthesis |
| P-608495789 | 95 | Main component as a main component | in stock |
| P-873253105 | 97 | Main component as a main component | 5 mg |
| P-854719625 | 95 | Main component as a main component | in stock |
| P-474021191 | 95 | Main component as a main component | in stock |
| P-878642654 | 98 | Main component as a main component | in stock |
| P-892287088 | 95 | Main component as a main component | unavailable |
| P-869108852 | 95 | Main component as a main component | 50 mg |
| P-888627676 | 95 | Main component as a main component | 50 mg |
| P-611359804 | 90 | Main component as a main component | in stock |
| P-868495721 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 679.204 |
| logP | 7.0122 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 136.14 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 191.8992 |
| Atoms | 83 |
| Rings | 5 |
| Heavy atoms | 47 |
| Hydrogen atoms | 36 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
