Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7600447613
Compound
Show structure
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-3164318695
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7600447613.sdf |
| SMILES | MCULE-7600447613.smiles |
| Standard InChI | MCULE-7600447613.inchi |
| InChIKey | MCULE-7600447613.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852072317 | 95 | Main component | by synthesis |
| P-889904461 | N/A | Main component | by synthesis |
| P-869218713 | 95 | Main component | in stock |
| P-851560085 | N/A | Main component | by synthesis |
| P-869991235 | 90 | Main component | 1000 mg |
| P-901362955 | 95 | Main component | by synthesis |
| P-590886295 | 95 | Main component | by synthesis |
| P-4997098 | 90 | Main component | 100 mg |
| P-454683937 | 90 | Main component | in stock |
| P-15154977 | 90 | Main component | 44 mg |
| P-436442828 | 90 | Main component | 5.685 g |
| P-342910 | 90 | Main component | 252 mg |
| P-620805447 | 95 | Main component | in stock |
| P-617323452 | 90 | Main component | in stock |
| P-34730291 | 90 | Main component | by synthesis |
| P-502510181 | 95 | Main component | by synthesis |
| P-852534215 | N/A | Main component | in stock |
| P-35274103 | 90 | Main component | 735 g |
| P-854917965 | 95 | Main component | by synthesis |
| P-645117655 | 90 | Main component | by synthesis |
| P-856970233 | 95 | Main component | by synthesis |
| P-19632289 | 90 | Main component | in stock |
| P-502330129 | 90 | Main component | in stock |
| P-22496162 | 90 | Main component | 1000 mg |
| P-855326145 | 90 | Main component | in stock |
| P-1866050 | 90 | Main component | 118 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 323.776 |
| logP | 3.5526 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 30.71 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 81.848 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
