MCULE-7561066553
- 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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 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-7561066553.sdf |
| SMILES | MCULE-7561066553.smiles |
| Standard InChI | MCULE-7561066553.inchi |
| InChIKey | MCULE-7561066553.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636078 | 98 | As is | in stock |
| P-875801046 | N/A | As is | in stock |
| P-903155721 | 98 | As is | 500 g |
| P-1264049831 | 95 | As is | in stock |
| P-596985438 | 97 | As is | 400 g |
| P-872728889 | 98 | As is | in stock |
| P-864136188 | 95 | As is | in stock |
| P-590633217 | 98 | As is | 131 g |
| P-452649356 | 98 | As is | in stock |
| P-20010113 | 90 | As is | in stock |
| P-851311964 | 95 | As is | by synthesis |
| P-861287938 | 95 | As is | in stock |
| P-34794506 | 90 | As is | by synthesis |
| P-579477765 | 95 | As is | in stock |
| P-889116926 | 95 | As is | 15 g |
| P-494300083 | 98 | As is | in stock |
| P-870652758 | 98 | As is | in stock |
| P-588709741 | 95 | As is | unavailable |
| P-579615509 | 97 | As is | 100 g |
| P-31258290 | 90 | As is | unavailable |
| P-852550474 | N/A | As is | in stock |
| P-1263156731 | 95 | As is | by synthesis |
| P-895170684 | 95 | As is | in stock |
| P-888171635 | 98 | As is | by synthesis |
| P-885543856 | 95 | As is | by synthesis |
| P-23903899 | 90 | As is | in stock |
| P-617401940 | N/A | As is | in stock |
| P-464642549 | 95 | As is | by synthesis |
| P-869176260 | 95 | As is | in stock |
| P-892292773 | 95 | As is | unavailable |
| P-892327593 | 95 | As is | 193 mg |
| P-502330626 | 90 | As is | in stock |
| P-33162683 | 90 | As is | 824 mg |
| P-906770149 | 98 | As is | by synthesis |
| P-1327717 | 90 | As is | 1.883 g |
| P-893965593 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.146 |
| logP | -0.1366 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 36.798 |
| Atoms | 20 |
| Rings | 3 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

