MCULE-3179221383
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-3179221383.sdf |
| SMILES | MCULE-3179221383.smiles |
| Standard InChI | MCULE-3179221383.inchi |
| InChIKey | MCULE-3179221383.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564519 | 98 | As is | in stock |
| P-875723977 | N/A | As is | in stock |
| P-869183086 | 95 | As is | in stock |
| P-505397450 | 98 | As is | in stock |
| P-903053248 | 98 | As is | 200 g |
| P-905481550 | 97 | As is | 1000 mg |
| P-610983959 | 90 | As is | 2.27717 kg |
| P-580243321 | 95 | As is | by synthesis |
| P-606876310 | N/A | As is | in stock |
| P-596946488 | 98 | As is | 1000 g |
| P-494352339 | 95 | As is | 4 g |
| P-864103527 | 95 | As is | in stock |
| P-580696924 | 98 | As is | 151.6 g |
| P-893233137 | 95 | As is | in stock |
| P-580090686 | 97 | As is | in stock |
| P-851247719 | 95 | As is | by synthesis |
| P-861093254 | 95 | As is | in stock |
| P-868594179 | 98 | As is | in stock |
| P-905332542 | 98 | As is | 37 g |
| P-861960854 | 98 | As is | 1.09133 kg |
| P-890217030 | 90 | As is | 1000 mg |
| P-590339460 | 90 | As is | 1000 mg |
| P-505545426 | 95 | As is | in stock |
| P-502856070 | 90 | As is | in stock |
| P-454304480 | 90 | As is | 100 mg |
| P-615650376 | 95 | As is | in stock |
| P-579620392 | 95 | As is | 125 g |
| P-467965134 | 95 | As is | 210 mg |
| P-601070075 | 90 | As is | 210 mg |
| P-852443459 | N/A | As is | in stock |
| P-854731499 | 95 | As is | in stock |
| P-12933919 | 90 | As is | 5.274 g |
| P-492285249 | 95 | As is | 5.274 g |
| P-888891129 | N/A | As is | in stock |
| P-500408477 | 95 | As is | by synthesis |
| P-859994033 | 95 | As is | by synthesis |
| P-579704484 | N/A | As is | in stock |
| P-13208350 | 90 | As is | 5.15 g |
| P-596781506 | 98 | As is | 182.7 g |
| P-33909516 | 90 | As is | in stock |
| P-502339437 | 90 | As is | in stock |
| P-906889068 | 99 | As is | by synthesis |
| P-611487004 | 90 | As is | in stock |
| P-615394875 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.156 |
| logP | 0.968 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 55.4 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.6482 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

