Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8326019285-2
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-8326019285-2.sdf |
| SMILES | MCULE-8326019285-2.smiles |
| Standard InChI | MCULE-8326019285-2.inchi |
| InChIKey | MCULE-8326019285-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270117906 | 95 | As is | in stock |
| P-1265817128 | 95 | As is | in stock |
| P-1264054487 | 98 | As is | in stock |
| P-1270312430 | 98 | As is | in stock |
| P-617067993 | 95 | As is | in stock |
| P-596946794 | 98 | As is | 3 kg |
| P-893254822 | 95 | As is | by synthesis |
| P-893230868 | 95 | As is | in stock |
| P-868577978 | 95 | As is | in stock |
| P-579477135 | 95 | As is | in stock |
| P-580426742 | 95 | As is | by resynthesis (? - ? days) |
| P-861976285 | 98 | As is | 9.52234 kg |
| P-905361385 | 98 | As is | 1.05 kg |
| P-500417638 | 98 | As is | in stock |
| P-13589909 | 92 | As is | 300 mg |
| P-500388022 | 98 | As is | by synthesis |
| P-579710946 | 98 | As is | in stock |
| P-903656826 | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 136.112 |
| logP | -0.3538 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 74.43 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 34.5094 |
| Atoms | 14 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 4 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
