MCULE-4947422460
- 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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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.
-
MCULE-8801502741
- Component type: Main
-
MCULE-1085128102
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4947422460.sdf |
| SMILES | MCULE-4947422460.smiles |
| Standard InChI | MCULE-4947422460.inchi |
| InChIKey | MCULE-4947422460.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612904923 | 95 | As is | by synthesis |
| P-875814072 | N/A | As is | in stock |
| P-588247043 | 95 | As is | in stock |
| P-903176556 | 98 | As is | 4 g |
| P-1264055857 | 95 | As is | in stock |
| P-893617997 | 90 | As is | 11.171 g |
| P-901179507 | N/A | As is | in stock |
| P-875890959 | 98 | As is | 5 g |
| P-904962868 | 95 | As is | in stock |
| P-901918486 | 98 | As is | 3.639 g |
| P-619844155 | 90 | As is | 498.495 g |
| P-870501743 | 90 | As is | in stock |
| P-887189698 | 95 | As is | by synthesis |
| P-856009725 | 97 | As is | 100 mg |
| P-852406317 | N/A | As is | in stock |
| P-904067279 | 95 | As is | by synthesis |
| P-854693884 | 95 | As is | in stock |
| P-878646159 | 98 | As is | in stock |
| P-892218854 | 95 | As is | by synthesis |
| P-869175662 | 95 | As is | in stock |
| P-892288036 | 95 | As is | unavailable |
| P-892313782 | 95 | As is | 115 mg |
| P-873219621 | 90 | As is | in stock |
| P-888577530 | 94 | As is | by resynthesis (? - ? days) |
| P-906839743 | 98 | As is | by synthesis |
| P-611573884 | 90 | As is | in stock |
| P-868538579 | 95 | As is | in stock |
| P-893108051 | N/A | As a main component | by synthesis |
| P-867660980 | 98 | As a main component | in stock |
| P-875829826 | N/A | As a main component | in stock |
| P-535625442 | 95 | As a main component | in stock |
| P-505351216 | 98 | As a main component | in stock |
| P-505403833 | 98 | As a main component | in stock |
| P-869279477 | 98 | As a main component | in stock |
| P-903204846 | 97 | As a main component | 600 g |
| P-606888460 | N/A | As a main component | in stock |
| P-489190121 | 97 | As a main component | in stock |
| P-596972479 | 97 | As a main component | 800 g |
| P-864166098 | 97 | As a main component | in stock |
| P-580700662 | 97 | As a main component | 131 g |
| P-893235952 | 95 | As a main component | in stock |
| P-505574366 | 98 | As a main component | in stock |
| P-4313674 | 90 | As a main component | 5 mg |
| P-617648040 | 90 | As a main component | in stock |
| P-584596226 | 95 | As a main component | 499 g |
| P-617322723 | 90 | As a main component | in stock |
| P-851299508 | 95 | As a main component | by synthesis |
| P-868639730 | 97 | As a main component | in stock |
| P-905341385 | 95 | As a main component | 55 g |
| P-889115363 | 95 | As a main component | 4 g |
| P-862012912 | 95 | As a main component | 1.13622 kg |
| P-500418001 | 98 | As a main component | in stock |
| P-505496114 | 95 | As a main component | in stock |
| P-579660653 | 95 | As a main component | by resynthesis (? - ? days) |
| P-31249964 | 90 | As a main component | unavailable |
| P-852459255 | N/A | As a main component | in stock |
| P-905144780 | 95 | As a main component | in stock |
| P-854691493 | 95 | As a main component | in stock |
| P-474026117 | 95 | As a main component | in stock |
| P-619672546 | 98 | As a main component | in stock |
| P-885538782 | 95 | As a main component | by synthesis |
| P-873029064 | 90 | As a main component | 240 mg |
| P-611425631 | 90 | As a main component | in stock |
| P-615417670 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.193 |
| logP | 0.7469 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 79.37 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.0272 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| 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 |

