Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7813277662-0
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 | 60 USD | 95 | 35 working days | Get Quote |
| 5 mg | 60 USD | 95 | 35 working days | Get Quote |
| 10 mg | 60 USD | 95 | 35 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-7813277662-0.sdf |
| SMILES | MCULE-7813277662-0.smiles |
| Standard InChI | MCULE-7813277662-0.inchi |
| InChIKey | MCULE-7813277662-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867635186 | 95 | As is | in stock |
| P-901198881 | 95 | As is | by synthesis |
| P-903155833 | 95 | As is | 5 g |
| P-851860573 | N/A | As is | by synthesis |
| P-904968954 | 95 | As is | by synthesis |
| P-591135383 | 95 | As is | by synthesis |
| P-492254406 | 95 | As is | in stock |
| P-4147171 | 90 | As is | 100 mg |
| P-454728381 | 90 | As is | in stock |
| P-436472108 | 95 | As is | in stock |
| P-34859413 | 90 | As is | in stock |
| P-596599818 | 95 | As is | 250 mg |
| P-596548317 | 95 | As is | 100 mg |
| P-852532213 | N/A | As is | by synthesis |
| P-854774689 | 95 | As is | by synthesis |
| P-1263769394 | 95 | As is | in stock |
| P-19627261 | 90 | As is | in stock |
| P-873228104 | 90 | As is | in stock |
| P-888453706 | 94 | As is | by resynthesis (? - ? days) |
| P-906895914 | 95 | As is | by synthesis |
| P-611453448 | 90 | As is | in stock |
| P-615647819 | 95 | As is | unavailable |
| P-894957999 | 85 | As is | in stock |
| P-615417713 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.189 |
| logP | 1.5328 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.2682 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
