MCULE-4301582390
- 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.
| Name | File |
|---|---|
| SDF | MCULE-4301582390.sdf |
| SMILES | MCULE-4301582390.smiles |
| Standard InChI | MCULE-4301582390.inchi |
| InChIKey | MCULE-4301582390.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875722912 | 98 | As is | in stock |
| P-597020299 | 98 | As is | unavailable |
| P-597022816 | 97 | As is | unavailable |
| P-1275181721 | 99 | As is | in stock |
| P-1275188186 | 98 | As is | in stock |
| P-1275151866 | 95 | As is | in stock |
| P-903052132 | 98 | As is | 500 g |
| P-905480843 | 98 | As is | 1000 mg |
| P-610983596 | 90 | As is | 10.3003 kg |
| P-1270377144 | 98 | As is | in stock |
| P-580237738 | 95 | As is | by synthesis |
| P-606901131 | N/A | As is | in stock |
| P-489125876 | 97 | As is | in stock |
| P-596946014 | 98 | As is | 5 kg |
| P-866730044 | 95 | As is | 276.09 g |
| P-864096275 | 98 | As is | in stock |
| P-481176365 | 95 | As is | 50 g |
| P-901455640 | 95 | As is | by synthesis |
| P-851274191 | 95 | As is | by synthesis |
| P-868642521 | 97 | As is | in stock |
| P-580405407 | 95 | As is | by resynthesis (? - ? days) |
| P-861981956 | 97 | As is | 4.42512 kg |
| P-905336465 | 97 | As is | 808 g |
| P-494300620 | 98 | As is | in stock |
| P-505535171 | 95 | As is | in stock |
| P-454407051 | 95 | As is | 383 mg |
| P-454329188 | 95 | As is | 383 mg |
| P-579612818 | 98 | As is | in stock |
| P-31197490 | 90 | As is | unavailable |
| P-580470446 | N/A | As is | by synthesis |
| P-1272580489 | 95 | As is | 1000 g |
| P-852442856 | 95 | As is | by synthesis |
| P-519760669 | 97 | As is | in stock |
| P-854733834 | 95 | As is | in stock |
| P-500395667 | 98 | As is | by synthesis |
| P-885535399 | 95 | As is | by synthesis |
| P-596766985 | 95 | As is | 4.4173 kg |
| P-502332717 | 90 | As is | in stock |
| P-611458944 | 90 | As is | in stock |
| P-615655560 | 95 | As is | unavailable |
| P-1271644755 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.162 |
| logP | 0.4228 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 40.552 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 |

