MCULE-3853977450
- 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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 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.
-
MCULE-2078041523
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3853977450.sdf |
| SMILES | MCULE-3853977450.smiles |
| Standard InChI | MCULE-3853977450.inchi |
| InChIKey | MCULE-3853977450.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867573436 | 95 | As is | in stock |
| P-875733926 | N/A | As is | in stock |
| P-869182178 | 95 | As is | in stock |
| P-505399007 | 98 | As is | in stock |
| P-903063581 | 98 | As is | 1.5 kg |
| P-878261728 | N/A | As is | by synthesis |
| P-489166528 | 97 | As is | in stock |
| P-596950301 | 97 | As is | 1.5 kg |
| P-494335997 | 95 | As is | by resynthesis (? - ? days) |
| P-864126277 | 95 | As is | in stock |
| P-901450780 | 95 | As is | by synthesis |
| P-851250266 | 95 | As is | by synthesis |
| P-868554421 | 97 | As is | in stock |
| P-580272352 | 95 | As is | by resynthesis (? - ? days) |
| P-905345733 | 98 | As is | 100 g |
| P-901374670 | 98 | As is | 40.5 g |
| P-488548662 | 90 | As is | in stock |
| P-454392484 | 95 | As is | 25 g |
| P-454300314 | 95 | As is | 100 mg |
| P-611662783 | 97 | As is | 350 g |
| P-852496880 | N/A | As is | in stock |
| P-854736009 | 95 | As is | in stock |
| P-888865769 | N/A | As is | in stock |
| P-454367635 | 92 | As is | in stock |
| P-885528601 | 95 | As is | by synthesis |
| P-579267226 | 90 | As is | in stock |
| P-502372531 | 90 | As is | in stock |
| P-611498806 | 90 | As is | in stock |
| P-464681639 | 90 | As is | unavailable |
| P-615387587 | 95 | As is | in stock |
| P-886562871 | 97 | As a main component | in stock |
| P-890146558 | N/A | As a main component | in stock |
| P-613852705 | 95 | As a main component | in stock |
| P-903078880 | 98 | As a main component | 200 g |
| P-851651403 | N/A | As a main component | by synthesis |
| P-489124154 | 97 | As a main component | in stock |
| P-596984423 | 98 | As a main component | 200 g |
| P-864126480 | 95 | As a main component | in stock |
| P-590903362 | 95 | As a main component | by synthesis |
| P-851250267 | 95 | As a main component | by synthesis |
| P-887966912 | 96 | As a main component | in stock |
| P-580292695 | 95 | As a main component | by resynthesis (? - ? days) |
| P-905318804 | 95 | As a main component | in stock |
| P-505524961 | 95 | As a main component | in stock |
| P-596567145 | 97 | As a main component | 100 g |
| P-870639874 | 97 | As a main component | 100 mg |
| P-579633826 | 95 | As a main component | by resynthesis (? - ? days) |
| P-580489571 | N/A | As a main component | by synthesis |
| P-852523413 | N/A | As a main component | in stock |
| P-895267385 | 95 | As a main component | by synthesis |
| P-608276343 | 98 | As a main component | in stock |
| P-500406455 | 98 | As a main component | by synthesis |
| P-885543613 | 95 | As a main component | by synthesis |
| P-464623929 | 95 | As a main component | by synthesis |
| P-892286538 | 95 | As a main component | unavailable |
| P-888626961 | 95 | As a main component | 203 mg |
| P-906868083 | 98 | As a main component | by synthesis |
| P-615452796 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.162 |
| logP | 0.9842 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.5534 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

