MCULE-8659106280
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
-
MCULE-2543196930
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8659106280.sdf |
| SMILES | MCULE-8659106280.smiles |
| Standard InChI | MCULE-8659106280.inchi |
| InChIKey | MCULE-8659106280.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572660 | 98 | As is | in stock |
| P-875733456 | 98 | As is | in stock |
| P-1275155475 | 95 | As is | in stock |
| P-1275200094 | 98 | As is | in stock |
| P-903063153 | 98 | As is | 791.5 g |
| P-489199047 | 97 | As is | in stock |
| P-596950223 | 98 | As is | 791.5 g |
| P-864188201 | 95 | As is | in stock |
| P-901460971 | 95 | As is | by synthesis |
| P-861276017 | 95 | As is | in stock |
| P-868582561 | 98 | As is | in stock |
| P-580414559 | 95 | As is | by resynthesis (? - ? days) |
| P-1264302898 | 98 | As is | 946.5 g |
| P-502576773 | 95 | As is | by synthesis |
| P-596586101 | 97 | As is | 5 g |
| P-580513900 | 98 | As is | in stock |
| P-852393572 | 97 | As is | by synthesis |
| P-889885495 | 95 | As is | by synthesis |
| P-480921362 | 95 | As is | in stock |
| P-878642635 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 104.147 |
| logP | 0.4053 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 28.3958 |
| Atoms | 19 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| 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 |

