Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1188920608
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 | 32 USD | 95 | 20 working days | Get Quote |
| 5 mg | 32 USD | 95 | 20 working days | Get Quote |
| 10 mg | 32 USD | 95 | 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-1188920608.sdf |
| SMILES | MCULE-1188920608.smiles |
| Standard InChI | MCULE-1188920608.inchi |
| InChIKey | MCULE-1188920608.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612878369 | N/A | As is | by synthesis |
| P-901199135 | 95 | As is | by synthesis |
| P-590365980 | 95 | As is | by resynthesis (? - ? days) |
| P-903157014 | 95 | As is | 2 g |
| P-1263084900 | N/A | As is | by synthesis |
| P-596967854 | 95 | As is | 2 g |
| P-864171640 | 95 | As is | in stock |
| P-893281397 | 95 | As is | by synthesis |
| P-889360136 | 95 | As is | 5 g |
| P-524181276 | 95 | As is | 250 mg |
| P-31180007 | 90 | As is | unavailable |
| P-852385497 | 98 | As is | by synthesis |
| P-35288535 | 90 | As is | in stock |
| P-1274984619 | 95 | As is | in stock |
| P-888842844 | N/A | As is | by synthesis |
| P-889880345 | 95 | As is | by synthesis |
| P-19479953 | 90 | As is | in stock |
| P-596738871 | 95 | As is | 1000 mg |
| P-502327125 | 90 | As is | in stock |
| P-22447742 | 90 | As is | 1000 mg |
| P-1106490 | 90 | As is | 154 mg |
| P-615409855 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.284 |
| logP | 4.42356 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 47.58 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 80.657 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
