Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4988038426-0
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 | 27 USD | 98 | 22 working days | Get Quote |
| 5 mg | 27 USD | 98 | 22 working days | Get Quote |
| 10 mg | 27 USD | 98 | 22 working days | Get Quote |
- 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-1232748587-0
- Component type: Main
-
1
MCULE-7728164114-0
- Component type: Counter Ion
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4988038426-0.sdf |
| SMILES | MCULE-4988038426-0.smiles |
| Standard InChI | MCULE-4988038426-0.inchi |
| InChIKey | MCULE-4988038426-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270106861 | 97 | Main component as a main component | in stock |
| P-1268823805 | 97 | Main component as a main component | in stock |
| P-1264518237 | 97 | Main component as a main component | 125 mg |
| P-1263097202 | N/A | Main component as a main component | by synthesis |
| P-1271913333 | 97 | Main component as a main component | 125 mg |
| P-1273291407 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1274834969 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1275488141 | 95 | Main component as a main component | in stock |
| P-900954953 | 90 | Main component as a main component | in stock |
| P-1275290624 | 90 | Main component as a main component | 95 mg |
| P-888621569 | 95 | Main component as a main component | 500 mg |
| P-31249272 | 90 | Main component as a main component | unavailable |
| P-1273476308 | 95 | Main component as a main component | in stock |
| P-1268711699 | 95 | Main component as a main component | by synthesis |
| P-888173763 | 98 | Main component as a main component | by synthesis |
| P-869124812 | 95 | Main component as a main component | 1.506 g |
| P-892290509 | 95 | Main component as a main component | 1.506 g |
| P-888638516 | 95 | Main component as a main component | 1.506 g |
| P-22452671 | 90 | Main component as a main component | 47 mg |
| P-596713077 | 90 | Main component as a main component | 19 mg |
| P-1272907969 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 332.651 |
| logP | 5.5503 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 55.92 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 94.7488 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| 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 |
