MCULE-8105772455
- 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 | 74 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-8105772455.sdf |
| SMILES | MCULE-8105772455.smiles |
| Standard InChI | MCULE-8105772455.inchi |
| InChIKey | MCULE-8105772455.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611137 | 95 | As is | in stock |
| P-875771111 | N/A | As is | in stock |
| P-590355556 | 95 | As is | in stock |
| P-893504619 | 90 | As is | 3.264 g |
| P-851535060 | N/A | As is | by synthesis |
| P-864323454 | 95 | As is | by synthesis |
| P-590800802 | 95 | As is | by synthesis |
| P-492247106 | 95 | As is | in stock |
| P-454698655 | 90 | As is | in stock |
| P-607763396 | 90 | As is | 27 mg |
| P-436448814 | 95 | As is | 15 g |
| P-19918312 | 90 | As is | in stock |
| P-861537024 | 95 | As is | by synthesis |
| P-34526502 | 90 | As is | by synthesis |
| P-580778396 | 90 | As is | by resynthesis (? - ? days) |
| P-580767633 | 90 | As is | in stock |
| P-596589462 | 90 | As is | 1000 mg |
| P-601073217 | 90 | As is | 213 mg |
| P-467983960 | 95 | As is | 213 mg |
| P-580465995 | N/A | As is | by synthesis |
| P-852398869 | N/A | As is | in stock |
| P-895294006 | 95 | As is | by synthesis |
| P-491130829 | 95 | As is | by synthesis |
| P-23858778 | 90 | As is | in stock |
| P-33467003 | 90 | As is | in stock |
| P-502344100 | 90 | As is | in stock |
| P-888474881 | 94 | As is | by resynthesis (? - ? days) |
| P-611606528 | 90 | As is | in stock |
| P-3231381 | 90 | As is | 1.201 g |
| P-25076421 | 90 | As is | 1.201 g |
| P-893677610 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.280 |
| logP | 0.7578 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 100.88 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.1331 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

