MCULE-3627688847
- 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 | 27 USD | N/A | 9 working days | Get Quote |
| 5 mg | 31 USD | 95 | 7 working days | Get Quote |
| 10 mg | 49 USD | 95 | 7 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-3627688847.sdf |
| SMILES | MCULE-3627688847.smiles |
| Standard InChI | MCULE-3627688847.inchi |
| InChIKey | MCULE-3627688847.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624363 | 95 | As is | in stock |
| P-875787163 | N/A | As is | in stock |
| P-892793775 | 95 | As is | in stock |
| P-903137206 | 99 | As is | 1.25 g |
| P-893605644 | 90 | As is | 4.756 g |
| P-851950661 | N/A | As is | in stock |
| P-865918394 | 99 | As is | 1.25 g |
| P-889584635 | 95 | As is | in stock |
| P-619605087 | 99 | As is | 1.19 g |
| P-887189682 | 95 | As is | by synthesis |
| P-860784905 | N/A | As is | in stock |
| P-855963702 | 97 | As is | 250 mg |
| P-854721612 | 95 | As is | in stock |
| P-888173356 | 98 | As is | by synthesis |
| P-869117225 | 95 | As is | by synthesis |
| P-892288528 | 95 | As is | unavailable |
| P-888632539 | 95 | As is | 50 mg |
| P-906837341 | 99 | As is | by synthesis |
| P-872751975 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 456.321 |
| logP | 5.1567 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 95.06 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.0661 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

