MCULE-2589723909
- 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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 16 USD | 98 | 20 working days | Get Quote |
| 10 mg | 16 USD | 98 | 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-2589723909.sdf |
| SMILES | MCULE-2589723909.smiles |
| Standard InChI | MCULE-2589723909.inchi |
| InChIKey | MCULE-2589723909.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648868 | 98 | As is | in stock |
| P-875816824 | 98 | As is | in stock |
| P-869299354 | 95 | As is | by resynthesis (? - ? days) |
| P-505401502 | 95 | As is | by resynthesis (? - ? days) |
| P-580195689 | 98 | As is | in stock |
| P-610975084 | 90 | As is | 14.37 g |
| P-866099686 | 95 | As is | 200 mg |
| P-606937439 | N/A | As is | in stock |
| P-596970627 | 98 | As is | 100 mg |
| P-1273452704 | 95 | As is | by resynthesis (? - ? days) |
| P-864136898 | 95 | As is | in stock |
| P-851279904 | 95 | As is | by synthesis |
| P-861515081 | 95 | As is | by synthesis |
| P-579480442 | 95 | As is | in stock |
| P-862122658 | 98 | As is | 100 mg |
| P-1273108828 | 95 | As is | 100 mg |
| P-852504550 | N/A | As is | by synthesis |
| P-854716019 | 95 | As is | in stock |
| P-474025063 | 95 | As is | in stock |
| P-878641033 | 98 | As is | in stock |
| P-617404007 | 98 | As is | in stock |
| P-892293203 | 95 | As is | unavailable |
| P-869148027 | 95 | As is | 50 mg |
| P-888649559 | 95 | As is | 50 mg |
| P-666984464 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 264.317 |
| logP | 4.5834 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 82.5 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

