MCULE-5257715430
- 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-5257715430.sdf |
| SMILES | MCULE-5257715430.smiles |
| Standard InChI | MCULE-5257715430.inchi |
| InChIKey | MCULE-5257715430.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572737 | 98 | As is | in stock |
| P-875733886 | N/A | As is | in stock |
| P-597026681 | 95 | As is | in stock |
| P-535627805 | 95 | As is | in stock |
| P-505351144 | 98 | As is | in stock |
| P-869220748 | 99 | As is | in stock |
| P-903063540 | 98 | As is | 500 g |
| P-905480639 | 98 | As is | 100 g |
| P-901165704 | 98 | As is | in stock |
| P-580200100 | 95 | As is | 1000 mg |
| P-606889960 | N/A | As is | in stock |
| P-596950291 | 98 | As is | 1.2 kg |
| P-605399665 | 95 | As is | 4.8 g |
| P-864142045 | 98 | As is | in stock |
| P-889744965 | 95 | As is | 10 g |
| P-580700049 | 98 | As is | 498 g |
| P-901413531 | 95 | As is | in stock |
| P-492251967 | 95 | As is | in stock |
| P-562257896 | 90 | As is | 100 mg |
| P-454632251 | 90 | As is | in stock |
| P-619340616 | 90 | As is | 1.95429 kg |
| P-436446601 | 95 | As is | in stock |
| P-901364891 | 90 | As is | in stock |
| P-34914546 | 90 | As is | in stock |
| P-851240650 | 95 | As is | by synthesis |
| P-868577730 | 97 | As is | in stock |
| P-34821851 | 90 | As is | by synthesis |
| P-899882744 | 90 | As is | by resynthesis (? - ? days) |
| P-899881411 | 90 | As is | in stock |
| P-905344553 | 98 | As is | 118.9 g |
| P-862024306 | 98 | As is | 118.9 g |
| P-870656902 | N/A | As is | in stock |
| P-492219812 | 95 | As is | in stock |
| P-488547887 | 90 | As is | in stock |
| P-854398434 | 95 | As is | 300 mg |
| P-855992286 | 98 | As is | 100 mg |
| P-524162667 | 98 | As is | 100 g |
| P-856077016 | 98 | As is | 1000 g |
| P-856041210 | 90 | As is | unavailable |
| P-856011518 | 90 | As is | 10 g |
| P-666794046 | 90 | As is | 201 mg |
| P-666815880 | 95 | As is | 201 mg |
| P-860787267 | N/A | As is | by synthesis |
| P-852397103 | N/A | As is | in stock |
| P-492286783 | 90 | As is | 5.992 g |
| P-34066915 | 90 | As is | 5.992 g |
| P-454367128 | 92 | As is | in stock |
| P-445290165 | 92 | As is | 300 mg |
| P-500397636 | 98 | As is | by synthesis |
| P-885516829 | 95 | As is | by synthesis |
| P-34139446 | 90 | As is | in stock |
| P-454054928 | 90 | As is | 17 mg |
| P-33475049 | 90 | As is | in stock |
| P-502349984 | 90 | As is | in stock |
| P-888432800 | 94 | As is | by resynthesis (? - ? days) |
| P-906773403 | 98 | As is | by synthesis |
| P-854996651 | 90 | As is | in stock |
| P-35038124 | 90 | As is | 1.666 g |
| P-464665054 | 90 | As is | 1.666 g |
| P-615394262 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.270 |
| logP | 2.6775 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 54.9678 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

