MCULE-7929008602
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7929008602.sdf |
| SMILES | MCULE-7929008602.smiles |
| Standard InChI | MCULE-7929008602.inchi |
| InChIKey | MCULE-7929008602.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867650048 | 95 | As is | in stock |
| P-875817545 | 95 | As is | in stock |
| P-615715889 | 95 | As is | by resynthesis (? - ? days) |
| P-851540133 | N/A | As is | by synthesis |
| P-901350742 | 95 | As is | by synthesis |
| P-590797428 | 95 | As is | by synthesis |
| P-492248628 | 95 | As is | in stock |
| P-454633708 | 90 | As is | in stock |
| P-448836057 | 90 | As is | 154.395 g |
| P-436453232 | 95 | As is | in stock |
| P-578290229 | 90 | As is | in stock |
| P-861531796 | 95 | As is | by synthesis |
| P-580089531 | 95 | As is | 2.71 g |
| P-579803859 | 90 | As is | in stock |
| P-502505309 | 95 | As is | by synthesis |
| P-870580197 | 95 | As is | in stock |
| P-870569007 | 90 | As is | in stock |
| P-488548230 | 90 | As is | in stock |
| P-13602571 | 92 | As is | 300 mg |
| P-596587574 | 90 | As is | 500 mg |
| P-852407078 | N/A | As is | by synthesis |
| P-854920949 | 95 | As is | by synthesis |
| P-620217746 | 95 | As is | 2.71 g |
| P-674811067 | 90 | As is | 2.71 g |
| P-454367312 | 92 | As is | in stock |
| P-13751216 | 92 | As is | 300 mg |
| P-856065285 | 95 | As is | in stock |
| P-23893168 | 90 | As is | in stock |
| P-873219925 | 90 | As is | in stock |
| P-23194164 | 94 | As is | by resynthesis (? - ? days) |
| P-611609388 | 90 | As is | in stock |
| P-1432045 | 90 | As is | 1.119 g |
| P-893667317 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.319 |
| logP | -1.1919 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 38.82 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 78.1127 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

