MCULE-2568269054
- 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-2568269054.sdf |
| SMILES | MCULE-2568269054.smiles |
| Standard InChI | MCULE-2568269054.inchi |
| InChIKey | MCULE-2568269054.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869363446 | 95 | As is | in stock |
| P-851634168 | N/A | As is | by synthesis |
| P-889834615 | 95 | As is | by synthesis |
| P-590850677 | 95 | As is | by synthesis |
| P-901540075 | 95 | As is | by synthesis |
| P-619847925 | 90 | As is | 8 mg |
| P-861295449 | 90 | As is | by synthesis |
| P-580784077 | 90 | As is | by resynthesis (? - ? days) |
| P-580771707 | 90 | As is | in stock |
| P-580474750 | N/A | As is | by synthesis |
| P-854860919 | 95 | As is | by synthesis |
| P-491136272 | 95 | As is | by synthesis |
| P-424838092 | 90 | As is | in stock |
| P-33471076 | 90 | As is | in stock |
| P-502348226 | 90 | As is | in stock |
| P-35123718 | 90 | As is | 155 mg |
| P-893790260 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.161 |
| logP | 1.1329 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 58.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.5617 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

