Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2776298093-0
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 | 13 USD | N/A | 9 working days | Get Quote |
| 5 mg | 16 USD | 99 | 14 working days | Get Quote |
| 10 mg | 16 USD | 99 | 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-8590214317-0
- Component type: Main
-
3
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2776298093-0.sdf |
| SMILES | MCULE-2776298093-0.smiles |
| Standard InChI | MCULE-2776298093-0.inchi |
| InChIKey | MCULE-2776298093-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869119013 | 95 | As is | by synthesis |
| P-888633993 | 95 | As is | unavailable |
| P-867616394 | 98 | Main component | in stock |
| P-875777688 | N/A | Main component | in stock |
| P-590360143 | 98 | Main component | in stock |
| P-903120366 | 99 | Main component | 10 g |
| P-905487290 | 97 | Main component | 1000 mg |
| P-610959405 | 90 | Main component | 235.801 g |
| P-893299707 | N/A | Main component | in stock |
| P-606856969 | N/A | Main component | in stock |
| P-489144321 | 97 | Main component | in stock |
| P-596963775 | 99 | Main component | 50 g |
| P-580193526 | 98 | Main component | in stock |
| P-864150054 | 98 | Main component | in stock |
| P-907575023 | 98 | Main component | in stock |
| P-868544708 | 99 | Main component | in stock |
| P-580717848 | 98 | Main component | 12.75 g |
| P-893237727 | 95 | Main component | in stock |
| P-881634108 | 98 | Main component | in stock |
| P-851249171 | 95 | Main component | by synthesis |
| P-860798577 | 98 | Main component | in stock |
| P-868629336 | 97 | Main component | in stock |
| P-905326564 | 98 | Main component | in stock |
| P-675214916 | 95 | Main component | in stock |
| P-596561913 | 97 | Main component | 100 mg |
| P-852522969 | N/A | Main component | in stock |
| P-854715345 | 95 | Main component | in stock |
| P-901019712 | 95 | Main component | in stock |
| P-474023269 | 95 | Main component | in stock |
| P-608271710 | 98 | Main component | in stock |
| P-1263958082 | 90 | Main component | in stock |
| P-579712206 | N/A | Main component | in stock |
| P-589631455 | N/A | Main component | in stock |
| P-906901412 | 98 | Main component | in stock |
| P-480840831 | 95 | Main component | in stock |
| P-893116810 | N/A | Main component as a main component | by synthesis |
| P-867693358 | 95 | Main component as a main component | in stock |
| P-875873207 | N/A | Main component as a main component | in stock |
| P-874653773 | N/A | Main component as a main component | in stock |
| P-903366756 | 98 | Main component as a main component | 5 g |
| P-1264054384 | 95 | Main component as a main component | in stock |
| P-893618147 | 90 | Main component as a main component | 6 g |
| P-872714159 | N/A | Main component as a main component | in stock |
| P-873302166 | 98 | Main component as a main component | 5 g |
| P-1263774531 | 95 | Main component as a main component | by synthesis |
| P-872718172 | 98 | Main component as a main component | 3.472 g |
| P-901532867 | 95 | Main component as a main component | by synthesis |
| P-887326786 | 95 | Main component as a main component | by synthesis |
| P-888621505 | 95 | Main component as a main component | 100 mg |
| P-871076209 | 95 | Main component as a main component | in stock |
| P-878646599 | 98 | Main component as a main component | in stock |
| P-869121150 | 95 | Main component as a main component | by synthesis |
| P-892289700 | 95 | Main component as a main component | 397 mg |
| P-888635834 | 95 | Main component as a main component | 397 mg |
| P-906839949 | 98 | Main component as a main component | by synthesis |
| P-893970574 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 682.115 |
| logP | 7.4694 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 86.9 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 192.9639 |
| Atoms | 92 |
| Rings | 5 |
| Heavy atoms | 45 |
| Hydrogen atoms | 47 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
