MCULE-4878920317-0
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 36 USD | 95 | 21 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-4878920317-0.sdf |
| SMILES | MCULE-4878920317-0.smiles |
| Standard InChI | MCULE-4878920317-0.inchi |
| InChIKey | MCULE-4878920317-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624300 | 98 | As is | in stock |
| P-875786867 | N/A | As is | in stock |
| P-590371639 | 95 | As is | in stock |
| P-903136967 | 95 | As is | 5 g |
| P-851389040 | N/A | As is | by synthesis |
| P-596518586 | 90 | As is | 1000 mg |
| P-596471245 | 90 | As is | 1000 mg |
| P-901348296 | 95 | As is | by synthesis |
| P-492248076 | 95 | As is | in stock |
| P-454660247 | 90 | As is | in stock |
| P-436448216 | 95 | As is | 10 g |
| P-19996852 | 90 | As is | in stock |
| P-868633717 | 98 | As is | in stock |
| P-34764201 | 90 | As is | in stock |
| P-502898595 | 90 | As is | in stock |
| P-492220369 | 95 | As is | in stock |
| P-596589106 | 90 | As is | 5 g |
| P-856002432 | 90 | As is | 94 mg |
| P-888159679 | 95 | As is | by synthesis |
| P-852398388 | N/A | As is | in stock |
| P-854831783 | 95 | As is | by synthesis |
| P-12294577 | 90 | As is | 460 mg |
| P-492273388 | 95 | As is | 460 mg |
| P-885517718 | 95 | As is | by synthesis |
| P-34148270 | 90 | As is | in stock |
| P-22823213 | 90 | As is | in stock |
| P-502348669 | 90 | As is | in stock |
| P-888439808 | 94 | As is | by resynthesis (? - ? days) |
| P-611496101 | 90 | As is | in stock |
| P-3230397 | 90 | As is | 595 mg |
| P-992228 | 90 | As is | 595 mg |
| P-893674182 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 212.631 |
| logP | 1.7361 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 72.19 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.6456 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| 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 |

