MCULE-6022656506
- 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 | 147 USD | 97 | 14 working days | Get Quote |
| 5 mg | 147 USD | 97 | 14 working days | Get Quote |
| 10 mg | 147 USD | 97 | 14 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-6022656506.sdf |
| SMILES | MCULE-6022656506.smiles |
| Standard InChI | MCULE-6022656506.inchi |
| InChIKey | MCULE-6022656506.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266252691 | 95 | As is | in stock |
| P-860657208 | 97 | As is | by synthesis |
| P-1265941211 | 95 | As is | in stock |
| P-875866879 | 95 | As is | in stock |
| P-1265078291 | 97 | As is | by synthesis |
| P-870139800 | 97 | As is | by resynthesis (? - ? days) |
| P-870147373 | 97 | As is | by resynthesis (? - ? days) |
| P-870147553 | 97 | As is | by resynthesis (? - ? days) |
| P-903336455 | 97 | As is | 1000 mg |
| P-893388513 | 90 | As is | by synthesis |
| P-893506777 | 90 | As is | 500 mg |
| P-893506782 | 90 | As is | 1000 mg |
| P-1270304405 | 95 | As is | in stock |
| P-1270318124 | 95 | As is | in stock |
| P-875900458 | N/A | As is | by synthesis |
| P-891649124 | N/A | As is | by synthesis |
| P-888933573 | N/A | As is | by synthesis |
| P-619175661 | 97 | As is | 1000 mg |
| P-1272014834 | 97 | As is | 500 mg |
| P-1274868520 | 95 | As is | by resynthesis (? - ? days) |
| P-1274868521 | 95 | As is | by resynthesis (? - ? days) |
| P-864181988 | 95 | As is | in stock |
| P-864182905 | 95 | As is | in stock |
| P-873438825 | 95 | As is | by synthesis |
| P-892410944 | 97 | As is | by synthesis |
| P-901868887 | 95 | As is | by synthesis |
| P-861359524 | 95 | As is | by synthesis |
| P-901405479 | 97 | As is | 1000 mg |
| P-855954415 | 97 | As is | 1000 mg |
| P-854920376 | 95 | As is | by synthesis |
| P-888839022 | N/A | As is | by synthesis |
| P-888839023 | N/A | As is | by synthesis |
| P-888868540 | N/A | As is | in stock |
| P-870513908 | 97 | As is | 1.5 g |
| P-870513909 | 97 | As is | 0 mg |
| P-886934696 | 97 | As is | by synthesis |
| P-886934697 | 97 | As is | by synthesis |
| P-615386338 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 410.248 |
| logP | 2.4361 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 62.46 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 116.467 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 24 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |

