MCULE-7645152231
- 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 | 28 USD | 95 | 17 working days | Get Quote |
| 5 mg | 28 USD | 95 | 17 working days | Get Quote |
| 10 mg | 28 USD | 95 | 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-7645152231.sdf |
| SMILES | MCULE-7645152231.smiles |
| Standard InChI | MCULE-7645152231.inchi |
| InChIKey | MCULE-7645152231.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659873 | 90 | As is | in stock |
| P-875828258 | N/A | As is | in stock |
| P-590394392 | 90 | As is | in stock |
| P-851550234 | N/A | As is | by synthesis |
| P-901347997 | 95 | As is | by synthesis |
| P-590986107 | 96 | As is | by synthesis |
| P-492246917 | 90 | As is | in stock |
| P-427954336 | 90 | As is | 1 mg |
| P-454694762 | 90 | As is | in stock |
| P-15129854 | 90 | As is | 27 mg |
| P-188408 | 90 | As is | 11 mg |
| P-436447546 | 95 | As is | 10 g |
| P-20006731 | 90 | As is | in stock |
| P-868615567 | 95 | As is | in stock |
| P-34785918 | 90 | As is | in stock |
| P-580426331 | 95 | As is | by resynthesis (? - ? days) |
| P-502449344 | 95 | As is | by synthesis |
| P-492215003 | 95 | As is | in stock |
| P-596590705 | 90 | As is | 1000 mg |
| P-601057220 | 90 | As is | 27.468 g |
| P-14064330 | 95 | As is | 27.468 g |
| P-852397820 | N/A | As is | in stock |
| P-895332997 | 95 | As is | by synthesis |
| P-492276487 | 90 | As is | 740 mg |
| P-12413403 | 90 | As is | 740 mg |
| P-885525738 | 95 | As is | by synthesis |
| P-23904163 | 90 | As is | in stock |
| P-453996701 | 90 | As is | 2 mg |
| P-33445469 | 90 | As is | in stock |
| P-502350979 | 90 | As is | in stock |
| P-888433048 | 94 | As is | by resynthesis (? - ? days) |
| P-855222240 | 90 | As is | in stock |
| P-3235586 | 90 | As is | 1.76 g |
| P-1329407 | 90 | As is | 1.76 g |
| P-893648341 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.279 |
| logP | 3.5042 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.3969 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

