Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2702597516-0
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 | 95 | 11 working days | Get Quote |
| 5 mg | 13 USD | 95 | 11 working days | Get Quote |
| 10 mg | 13 USD | 95 | 11 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-6489171241-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2702597516-0.sdf |
| SMILES | MCULE-2702597516-0.smiles |
| Standard InChI | MCULE-2702597516-0.inchi |
| InChIKey | MCULE-2702597516-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852073807 | 95 | As is | by synthesis |
| P-875728845 | N/A | As is | in stock |
| P-903058418 | 94 | As is | 10 g |
| P-893586002 | 90 | As is | 5.4 g |
| P-868827236 | 94 | As is | 5.4 g |
| P-864232620 | 95 | As is | by synthesis |
| P-851339102 | 95 | As is | by synthesis |
| P-870658803 | 94 | As is | in stock |
| P-615725898 | 95 | Main component | in stock |
| P-864228645 | 97 | Main component | by synthesis |
| P-504745973 | 90 | Main component | 1 mg |
| P-905314113 | 97 | Main component | in stock |
| P-505492120 | 95 | Main component | in stock |
| P-579627824 | 94 | Main component | 25 g |
| P-852482801 | N/A | Main component | in stock |
| P-500411666 | 95 | Main component | by synthesis |
| P-873227316 | 90 | Main component | in stock |
| P-869181748 | 95 | Main component as a main component | in stock |
| P-505388454 | 98 | Main component as a main component | in stock |
| P-596651537 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-505575938 | 94 | Main component as a main component | in stock |
| P-617187559 | 90 | Main component as a main component | in stock |
| P-851281815 | 95 | Main component as a main component | by synthesis |
| P-868592731 | 95 | Main component as a main component | in stock |
| P-505515959 | 95 | Main component as a main component | in stock |
| P-488550444 | 90 | Main component as a main component | in stock |
| P-427889970 | 95 | Main component as a main component | 300 mg |
| P-524164178 | 97 | Main component as a main component | 1000 g |
| P-889735677 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-579680716 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-31177873 | 90 | Main component as a main component | unavailable |
| P-454372056 | 92 | Main component as a main component | in stock |
| P-445318628 | 92 | Main component as a main component | 300 mg |
| P-500390633 | N/A | Main component as a main component | by synthesis |
| P-889853032 | 95 | Main component as a main component | by synthesis |
| P-675126175 | 90 | Main component as a main component | in stock |
| P-33221407 | 90 | Main component as a main component | in stock |
| P-903769185 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-906761031 | 98 | Main component as a main component | by synthesis |
| P-906864553 | 95 | Main component as a main component | by synthesis |
| P-854956675 | 90 | Main component as a main component | in stock |
| P-617780736 | 90 | Main component as a main component | 1.49 g |
| P-617724156 | 90 | Main component as a main component | 1.49 g |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 214.051 |
| logP | 2.2764 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 0 |
| PSA | 124.07 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.1982 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
