Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8212490895
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 | 78 USD | 90 | 22 working days | Get Quote |
| 5 mg | 87 USD | 90 | 17 working days | Get Quote |
| 10 mg | 124 USD | 90 | 17 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-8212490895.sdf |
| SMILES | MCULE-8212490895.smiles |
| Standard InChI | MCULE-8212490895.inchi |
| InChIKey | MCULE-8212490895.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886604219 | 95 | As is | in stock |
| P-889923756 | 90 | As is | by synthesis |
| P-869272314 | 95 | As is | by resynthesis (? - ? days) |
| P-903139662 | 95 | As is | 1000 mg |
| P-904754869 | N/A | As is | by synthesis |
| P-596306569 | 90 | As is | 206 mg |
| P-596509693 | 90 | As is | 206 mg |
| P-889827063 | 95 | As is | by synthesis |
| P-905556973 | 95 | As is | by synthesis |
| P-901564670 | 95 | As is | by synthesis |
| P-4233788 | 90 | As is | 5 mg |
| P-454760818 | 90 | As is | in stock |
| P-619848773 | 90 | As is | 71 mg |
| P-34756266 | 90 | As is | by synthesis |
| P-580779954 | 90 | As is | by resynthesis (? - ? days) |
| P-580769068 | 90 | As is | in stock |
| P-580465980 | N/A | As is | by synthesis |
| P-35225684 | 90 | As is | in stock |
| P-491133545 | 95 | As is | by synthesis |
| P-19428923 | 90 | As is | in stock |
| P-12330506 | 90 | As is | 31 mg |
| P-33468002 | 90 | As is | in stock |
| P-502345415 | 90 | As is | in stock |
| P-903647311 | 94 | As is | by resynthesis (? - ? days) |
| P-611597542 | 90 | As is | in stock |
| P-3244551 | 90 | As is | 555 mg |
| P-893777436 | 100 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.292 |
| logP | 2.91198 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 90.22 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.897 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| 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 |
