Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8871531205-0
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 | 12 USD | 95 | 14 working days | Get Quote |
| 5 mg | 12 USD | 95 | 14 working days | Get Quote |
| 10 mg | 12 USD | 95 | 14 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-8012474572-0
- Component type: Main
-
1
MCULE-2746019379-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8871531205-0.sdf |
| SMILES | MCULE-8871531205-0.smiles |
| Standard InChI | MCULE-8871531205-0.inchi |
| InChIKey | MCULE-8871531205-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867573084 | 92 | As is | in stock |
| P-875734066 | N/A | As is | in stock |
| P-590411798 | 92 | As is | in stock |
| P-903063434 | 92 | As is | 1000 mg |
| P-893548794 | 90 | As is | 29 g |
| P-891650691 | N/A | As is | by synthesis |
| P-489124427 | 97 | As is | in stock |
| P-596987871 | 92 | As is | 2.5 g |
| P-579792148 | 95 | As is | by resynthesis (? - ? days) |
| P-864187325 | 98 | As is | in stock |
| P-893230239 | 95 | As is | in stock |
| P-868616791 | 92 | As is | in stock |
| P-905308523 | 98 | As is | 10.9 g |
| P-596576323 | 95 | As is | 1000 mg |
| P-860796824 | 95 | As is | 100 mg |
| P-854754594 | 95 | As is | in stock |
| P-885552221 | 95 | As is | by synthesis |
| P-596773292 | 97 | As is | 20 mg |
| P-502403418 | 90 | As is | in stock |
| P-611339123 | 90 | As is | in stock |
| P-615408071 | 95 | As is | in stock |
| P-867573085 | 85 | Main component as a main component | in stock |
| P-901185993 | N/A | Main component as a main component | by synthesis |
| P-505398827 | 95 | Main component as a main component | in stock |
| P-903063435 | 85 | Main component as a main component | 41.8 g |
| P-893575318 | 90 | Main component as a main component | 189.4 g |
| P-871254839 | N/A | Main component as a main component | in stock |
| P-865908689 | 85 | Main component as a main component | 100 g |
| P-579792005 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-869385738 | N/A | Main component as a main component | in stock |
| P-893230237 | 95 | Main component as a main component | in stock |
| P-524183152 | 95 | Main component as a main component | 1000 mg |
| P-885539846 | 95 | Main component as a main component | by synthesis |
| P-502328484 | 90 | Main component as a main component | in stock |
| P-22494854 | 90 | Main component as a main component | 963 mg |
| P-893983476 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 226.985 |
| logP | 2.9319 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 3.88 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.361 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
