MCULE-8225738066
- 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 | 68 USD | 95 | 14 working days | Get Quote |
| 5 mg | 68 USD | 95 | 14 working days | Get Quote |
| 10 mg | 110 USD | 95 | 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-8225738066.sdf |
| SMILES | MCULE-8225738066.smiles |
| Standard InChI | MCULE-8225738066.inchi |
| InChIKey | MCULE-8225738066.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867473112 | N/A | As is | by synthesis |
| P-901300700 | N/A | As is | in stock |
| P-610994042 | 90 | As is | 8.975 g |
| P-851716678 | N/A | As is | by synthesis |
| P-900251051 | 95 | As is | unavailable |
| P-591067499 | 95 | As is | by synthesis |
| P-605201088 | 95 | As is | 8.89 g |
| P-887199335 | 95 | As is | by synthesis |
| P-856007009 | 95 | As is | 89 mg |
| P-855965778 | 95 | As is | 5 g |
| P-852489818 | N/A | As is | in stock |
| P-1263158221 | 95 | As is | in stock |
| P-888170904 | 98 | As is | by synthesis |
| P-869129641 | 95 | As is | by synthesis |
| P-888641798 | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 311.335 |
| logP | 2.9601 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 58.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 86.271 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

