Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7882303427-1
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 | 14 USD | 98 | 20 working days | Get Quote |
| 5 mg | 14 USD | 98 | 20 working days | Get Quote |
| 10 mg | 14 USD | 98 | 20 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-2510942472-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7882303427-1.sdf |
| SMILES | MCULE-7882303427-1.smiles |
| Standard InChI | MCULE-7882303427-1.inchi |
| InChIKey | MCULE-7882303427-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875703738 | N/A | As is | in stock |
| P-611623986 | 98 | As is | in stock |
| P-903028629 | 98 | As is | 133.5 g |
| P-873289457 | 98 | As is | 129.5 g |
| P-579786877 | 95 | As is | by resynthesis (? - ? days) |
| P-889777017 | 95 | As is | in stock |
| P-868573294 | 98 | As is | in stock |
| P-856004113 | 95 | As is | 8.181 g |
| P-855997341 | 97 | As is | 100 mg |
| P-855908646 | 95 | As is | 8.181 g |
| P-524198901 | 97 | As is | 100 g |
| P-524188534 | 98 | As is | 25 g |
| P-852490601 | N/A | As is | in stock |
| P-854919509 | 95 | As is | by synthesis |
| P-889876864 | 95 | As is | by synthesis |
| P-906834606 | 98 | As is | by synthesis |
| P-893719320 | 95 | As is | by synthesis |
| P-860654333 | N/A | Main component | by synthesis |
| P-894646103 | 95 | Main component | in stock |
| P-610904295 | 90 | Main component | by synthesis |
| P-864260160 | 95 | Main component | by synthesis |
| P-579680945 | 95 | Main component | by resynthesis (? - ? days) |
| P-854816322 | 95 | Main component | by synthesis |
| P-886930924 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 221.723 |
| logP | 2.9594 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.0274 |
| 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 |
