MCULE-8947006791
- 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 | 20 USD | 95 | 6 working days | Get Quote |
| 5 mg | 20 USD | 95 | 6 working days | Get Quote |
| 10 mg | 20 USD | 95 | 6 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-8947006791.sdf |
| SMILES | MCULE-8947006791.smiles |
| Standard InChI | MCULE-8947006791.inchi |
| InChIKey | MCULE-8947006791.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867641609 | 95 | As is | in stock |
| P-875807829 | N/A | As is | in stock |
| P-869310504 | 95 | As is | in stock |
| P-903165225 | 98 | As is | 100 mg |
| P-893571037 | 90 | As is | 10.892 g |
| P-867719315 | N/A | As is | in stock |
| P-888819824 | 98 | As is | 100 mg |
| P-872726291 | 98 | As is | in stock |
| P-896036639 | 95 | As is | by synthesis |
| P-504692608 | 85 | As is | 5 mg |
| P-5058041 | 90 | As is | 8 mg |
| P-209804 | 90 | As is | 1.35 g |
| P-889732598 | 95 | As is | by synthesis |
| P-34693758 | 90 | As is | by synthesis |
| P-492238003 | 95 | As is | in stock |
| P-873244512 | 97 | As is | 50 mg |
| P-588249019 | 95 | As is | 500 mg |
| P-852602607 | N/A | As is | in stock |
| P-854715637 | 95 | As is | in stock |
| P-878647549 | 98 | As is | in stock |
| P-491318790 | 95 | As is | by synthesis |
| P-24042264 | 90 | As is | in stock |
| P-873285214 | N/A | As is | in stock |
| P-869129096 | 95 | As is | by synthesis |
| P-892291787 | 95 | As is | unavailable |
| P-888641541 | 95 | As is | 200 mg |
| P-873235845 | 90 | As is | in stock |
| P-875277494 | 90 | As is | 3 mg |
| P-611466118 | 90 | As is | in stock |
| P-25673103 | 90 | As is | 115 mg |
| P-893993716 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 345.847 |
| logP | 5.0508 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 96.25 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 96.4496 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

