MCULE-4943790330
- 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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 24 USD | 98 | 20 working days | Get Quote |
| 10 mg | 33 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-4943790330.sdf |
| SMILES | MCULE-4943790330.smiles |
| Standard InChI | MCULE-4943790330.inchi |
| InChIKey | MCULE-4943790330.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679711 | 98 | As is | in stock |
| P-875857263 | N/A | As is | in stock |
| P-869219331 | 95 | As is | in stock |
| P-903310092 | 98 | As is | 500 mg |
| P-1264052071 | 95 | As is | in stock |
| P-893527447 | 90 | As is | 7.227 g |
| P-606857539 | N/A | As is | in stock |
| P-865932090 | 98 | As is | 500 mg |
| P-872726403 | 98 | As is | in stock |
| P-864175029 | 98 | As is | in stock |
| P-584630075 | 98 | As is | 424 mg |
| P-893268171 | 95 | As is | by synthesis |
| P-580452427 | 97 | As is | in stock |
| P-861365012 | 95 | As is | by synthesis |
| P-608498247 | 95 | As is | in stock |
| P-870661783 | N/A | As is | in stock |
| P-524444720 | 95 | As is | 887 mg |
| P-854718091 | 95 | As is | in stock |
| P-888172036 | 98 | As is | by synthesis |
| P-617401742 | N/A | As is | in stock |
| P-873286965 | N/A | As is | in stock |
| P-869162967 | 95 | As is | by synthesis |
| P-892298806 | 95 | As is | unavailable |
| P-888658419 | 95 | As is | 104 mg |
| P-906879953 | 98 | As is | by synthesis |
| P-855066769 | 90 | As is | in stock |
| P-868514778 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.307 |
| logP | 4.8622 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 57.79 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 88.9027 |
| Atoms | 43 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

