MCULE-7470972700
- 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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 20 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-7470972700.sdf |
| SMILES | MCULE-7470972700.smiles |
| Standard InChI | MCULE-7470972700.inchi |
| InChIKey | MCULE-7470972700.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623700 | 97 | As is | in stock |
| P-875786259 | N/A | As is | in stock |
| P-588248535 | N/A | As is | in stock |
| P-903135763 | 98 | As is | 100 g |
| P-907315146 | 95 | As is | by synthesis |
| P-606943217 | N/A | As is | in stock |
| P-596964895 | 97 | As is | 100 g |
| P-494328856 | 95 | As is | by resynthesis (? - ? days) |
| P-889461882 | 97 | As is | by synthesis |
| P-481173702 | 95 | As is | 10 g |
| P-580734833 | 97 | As is | 16.25 g |
| P-851274726 | 95 | As is | by synthesis |
| P-868642704 | 97 | As is | in stock |
| P-580414212 | 95 | As is | by resynthesis (? - ? days) |
| P-905333302 | 97 | As is | 5 g |
| P-861967073 | 97 | As is | 169.107 g |
| P-885855327 | 95 | As is | in stock |
| P-18817660 | 90 | As is | 744 mg |
| P-860797224 | 95 | As is | unavailable |
| P-856043436 | 90 | As is | unavailable |
| P-31263920 | 90 | As is | unavailable |
| P-460552992 | 90 | As is | 124 mg |
| P-580515630 | 97 | As is | 291 g |
| P-852388739 | N/A | As is | in stock |
| P-519757041 | 95 | As is | 33.2 g |
| P-428018019 | 95 | As is | 33.2 kg |
| P-895223101 | 95 | As is | in stock |
| P-889885362 | 95 | As is | by synthesis |
| P-596757903 | 97 | As is | 82.5 g |
| P-502363508 | 90 | As is | in stock |
| P-906903460 | 98 | As is | in stock |
| P-906903461 | 97 | As is | in stock |
| P-611373598 | 90 | As is | in stock |
| P-615407427 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.202 |
| logP | 1.98678 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 92.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.1514 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| 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 |

