Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5057129436-0
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-8995752996-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5057129436-0.sdf |
| SMILES | MCULE-5057129436-0.smiles |
| Standard InChI | MCULE-5057129436-0.inchi |
| InChIKey | MCULE-5057129436-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867630717 | 97 | As is | in stock |
| P-875794461 | N/A | As is | in stock |
| P-869233913 | 95 | As is | in stock |
| P-851871184 | N/A | As is | by synthesis |
| P-489227640 | 97 | As is | in stock |
| P-864261594 | 95 | As is | by synthesis |
| P-591131360 | 95 | As is | by synthesis |
| P-492257448 | 95 | As is | in stock |
| P-872448269 | 90 | As is | 100 mg |
| P-868566788 | 97 | As is | in stock |
| P-524196764 | 95 | As is | 5 g |
| P-864002788 | 95 | As is | by synthesis |
| P-611372292 | 90 | As is | in stock |
| P-893669394 | 95 | As is | by synthesis |
| P-867566450 | 97 | Main component | in stock |
| P-875725596 | N/A | Main component | in stock |
| P-869190147 | 95 | Main component | in stock |
| P-590391435 | 98 | Main component | in stock |
| P-903054828 | 98 | Main component | 75 g |
| P-905483273 | 95 | Main component | 100 g |
| P-893534119 | 90 | Main component | 284.999 g |
| P-580261123 | 95 | Main component | by synthesis |
| P-606931281 | N/A | Main component | in stock |
| P-489211115 | 97 | Main component | in stock |
| P-596947160 | 97 | Main component | 50 g |
| P-895929531 | 95 | Main component | by resynthesis (? - ? days) |
| P-864112423 | 95 | Main component | in stock |
| P-580703087 | 97 | Main component | 17.35 g |
| P-454725728 | 90 | Main component | in stock |
| P-620804761 | 95 | Main component | in stock |
| P-851242310 | 95 | Main component | by synthesis |
| P-868598060 | 97 | Main component | in stock |
| P-862001065 | 95 | Main component | 38.232 g |
| P-890214760 | 90 | Main component | in stock |
| P-590337185 | 90 | Main component | 1000 mg |
| P-454316870 | 90 | Main component | unavailable |
| P-608094423 | 95 | Main component | 25 g |
| P-852449675 | N/A | Main component | in stock |
| P-854746190 | 95 | Main component | in stock |
| P-859992565 | 95 | Main component | by synthesis |
| P-596737451 | 97 | Main component | 82.6 g |
| P-873226846 | 90 | Main component | in stock |
| P-611372291 | 90 | Main component | in stock |
| P-615395963 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 173.638 |
| logP | 2.1399 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 46.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.2082 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
