MCULE-8111520680
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-8111520680.sdf |
| SMILES | MCULE-8111520680.smiles |
| Standard InChI | MCULE-8111520680.inchi |
| InChIKey | MCULE-8111520680.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890141705 | N/A | As is | in stock |
| P-894614381 | 95 | As is | in stock |
| P-903037960 | 95 | As is | 5 g |
| P-905487791 | 95 | As is | 1000 mg |
| P-893540607 | 90 | As is | 14 g |
| P-851566877 | N/A | As is | by synthesis |
| P-596975142 | 96 | As is | 5 g |
| P-864163942 | 95 | As is | in stock |
| P-590915340 | 95 | As is | by synthesis |
| P-619849332 | 90 | As is | 55 mg |
| P-861413801 | 95 | As is | by synthesis |
| P-34590892 | 90 | As is | by synthesis |
| P-861298639 | 90 | As is | by synthesis |
| P-579454513 | 95 | As is | 1000 mg |
| P-31262800 | 90 | As is | 2 g |
| P-854921603 | 95 | As is | by synthesis |
| P-23880906 | 90 | As is | in stock |
| P-870517107 | 95 | As is | 9 g |
| P-33469001 | 90 | As is | in stock |
| P-502346681 | 90 | As is | in stock |
| P-906794890 | 95 | As is | by synthesis |
| P-911616328 | 90 | As is | by synthesis |
| P-911616296 | 90 | As is | unavailable |
| P-996663 | 90 | As is | 26 mg |
| P-615398412 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.293 |
| logP | 3.83498 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 64.92 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.771 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| 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 |

