Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9886218531-0
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 | 95 | 27 working days | Get Quote |
| 5 mg | 24 USD | 95 | 27 working days | Get Quote |
| 10 mg | 24 USD | 95 | 27 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.
-
1
MCULE-8452909293-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9886218531-0.sdf |
| SMILES | MCULE-9886218531-0.smiles |
| Standard InChI | MCULE-9886218531-0.inchi |
| InChIKey | MCULE-9886218531-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867669508 | 95 | As is | in stock |
| P-875843559 | N/A | As is | in stock |
| P-869318272 | 95 | As is | in stock |
| P-903214630 | 98 | As is | 1000 mg |
| P-851951508 | N/A | As is | in stock |
| P-865928122 | 98 | As is | 1000 mg |
| P-895925789 | 95 | As is | by resynthesis (? - ? days) |
| P-895929525 | 95 | As is | by resynthesis (? - ? days) |
| P-864205101 | 95 | As is | in stock |
| P-617432295 | 98 | As is | 1000 mg |
| P-616227340 | 95 | As is | in stock |
| P-4152687 | 90 | As is | 50 mg |
| P-868570518 | 99 | As is | in stock |
| P-855950699 | 95 | As is | 5 g |
| P-854829187 | 95 | As is | by synthesis |
| P-906905241 | 98 | As is | in stock |
| P-906899703 | 95 | As is | in stock |
| P-906830481 | 98 | As is | by synthesis |
| P-906790430 | 97 | As is | by synthesis |
| P-906832031 | 97 | As is | by synthesis |
| P-906755247 | 98 | As is | by synthesis |
| P-906816179 | 95 | As is | by synthesis |
| P-906840513 | 98 | As is | by synthesis |
| P-906790342 | 98 | As is | by synthesis |
| P-906754545 | 99 | As is | by synthesis |
| P-868514397 | 95 | As is | in stock |
| P-867494177 | N/A | Main component | by synthesis |
| P-893385028 | 90 | Main component | by synthesis |
| P-901888806 | 97 | Main component | by synthesis |
| P-869025536 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 221.723 |
| logP | 2.4655 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.6178 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 20 |
| 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 |
