Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1168496209-0
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 | 22 USD | 95 | 12 working days | Get Quote |
| 5 mg | 22 USD | 95 | 12 working days | Get Quote |
| 10 mg | 22 USD | 95 | 12 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-2514355142-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1168496209-0.sdf |
| SMILES | MCULE-1168496209-0.smiles |
| Standard InChI | MCULE-1168496209-0.inchi |
| InChIKey | MCULE-1168496209-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-610956559 | 90 | As is | 266.159 g |
| P-505575150 | 98 | As is | in stock |
| P-851278538 | 95 | As is | by synthesis |
| P-868578899 | 98 | As is | in stock |
| P-608494395 | 95 | As is | in stock |
| P-901380043 | 95 | As is | 750 mg |
| P-579616581 | 98 | As is | 1000 g |
| P-852444594 | N/A | As is | in stock |
| P-896630125 | 95 | As is | by synthesis |
| P-854712263 | 95 | As is | in stock |
| P-474021169 | 95 | As is | in stock |
| P-608277114 | 98 | As is | in stock |
| P-579711496 | N/A | As is | in stock |
| P-903292404 | 98 | Main component | 50 mg |
| P-489179648 | 97 | Main component | in stock |
| P-851294042 | 95 | Main component | by synthesis |
| P-895188570 | 95 | Main component | by synthesis |
| P-888171186 | 98 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 291.813 |
| logP | 4.9175 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 86.5747 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
