Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7112299386-0
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 | 33 USD | 95 | 7 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 83 USD | 98 | 16 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-7112299386-0.sdf |
| SMILES | MCULE-7112299386-0.smiles |
| Standard InChI | MCULE-7112299386-0.inchi |
| InChIKey | MCULE-7112299386-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679577 | N/A | As is | in stock |
| P-875857082 | N/A | As is | in stock |
| P-869330541 | 95 | As is | by resynthesis (? - ? days) |
| P-893528723 | 90 | As is | 977 mg |
| P-1270382514 | 98 | As is | in stock |
| P-888827085 | 99 | As is | 200 mg |
| P-1273256377 | 95 | As is | by resynthesis (? - ? days) |
| P-889778251 | 95 | As is | in stock |
| P-868545224 | 99 | As is | in stock |
| P-901523618 | 95 | As is | by synthesis |
| P-871216224 | 95 | As is | by synthesis |
| P-861286675 | 98 | As is | in stock |
| P-887190604 | 95 | As is | by synthesis |
| P-868660444 | 95 | As is | in stock |
| P-854621634 | 98 | As is | in stock |
| P-502597928 | 90 | As is | in stock |
| P-873246803 | 97 | As is | 5 mg |
| P-854719096 | 95 | As is | in stock |
| P-1268713621 | 95 | As is | by synthesis |
| P-474025039 | 95 | As is | in stock |
| P-619672861 | 98 | As is | in stock |
| P-896231947 | 90 | As is | 15 mg |
| P-892295697 | 95 | As is | unavailable |
| P-594274096 | 95 | As is | 50 mg |
| P-888656673 | 95 | As is | 50 mg |
| P-23300365 | 94 | As is | by resynthesis (? - ? days) |
| P-855059458 | 90 | As is | in stock |
| P-855060686 | 90 | As is | in stock |
| P-868503746 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 415.450 |
| logP | 4.5619 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 39.6 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 118.571 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 24 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
