Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5027176918
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 15 USD | 95 | 22 working days | Get Quote |
| 5 mg | 15 USD | 95 | 22 working days | Get Quote |
| 10 mg | 15 USD | 95 | 22 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.
-
1
MCULE-8037874224
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5027176918.sdf |
| SMILES | MCULE-5027176918.smiles |
| Standard InChI | MCULE-5027176918.inchi |
| InChIKey | MCULE-5027176918.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275894146 | 95 | As is | by synthesis |
| P-867661239 | 95 | Main component | in stock |
| P-875829911 | 98 | Main component | in stock |
| P-597027888 | 98 | Main component | unavailable |
| P-1275179546 | 98 | Main component | in stock |
| P-1275180363 | 99 | Main component | in stock |
| P-1275154362 | 95 | Main component | in stock |
| P-580193708 | 98 | Main component | in stock |
| P-1264048557 | 99 | Main component | in stock |
| P-617066883 | 99 | Main component | in stock |
| P-489121621 | 97 | Main component | in stock |
| P-494349137 | 95 | Main component | 610 g |
| P-864195805 | 95 | Main component | in stock |
| P-893219092 | 95 | Main component | in stock |
| P-893255783 | 95 | Main component | by synthesis |
| P-454615876 | 90 | Main component | in stock |
| P-607694743 | 90 | Main component | 199.995 g |
| P-381 | 90 | Main component | 580 g |
| P-436466059 | 95 | Main component | in stock |
| P-425134612 | 90 | Main component | in stock |
| P-580450283 | 99 | Main component | in stock |
| P-868580184 | 98 | Main component | in stock |
| P-34459639 | 90 | Main component | by synthesis |
| P-1275235898 | 90 | Main component | in stock |
| P-608496512 | 95 | Main component | in stock |
| P-608220387 | 98 | Main component | in stock |
| P-505492168 | 95 | Main component | in stock |
| P-492243075 | 95 | Main component | in stock |
| P-890852188 | 90 | Main component | in stock |
| P-890852570 | 90 | Main component | in stock |
| P-488555395 | 92 | Main component | in stock |
| P-488548668 | 90 | Main component | in stock |
| P-524441616 | 97 | Main component | 388 mg |
| P-856045415 | 90 | Main component | 2 g |
| P-31164877 | 90 | Main component | 2 g |
| P-1275894920 | 95 | Main component | by synthesis |
| P-854719549 | 95 | Main component | in stock |
| P-895185036 | 95 | Main component | in stock |
| P-474023560 | 95 | Main component | in stock |
| P-608275855 | 98 | Main component | in stock |
| P-12736533 | 90 | Main component | 50 mg |
| P-881189971 | 90 | Main component | 88 mg |
| P-454371392 | 92 | Main component | in stock |
| P-13830818 | 92 | Main component | 300 mg |
| P-1263956518 | 90 | Main component | in stock |
| P-491223454 | 95 | Main component | by synthesis |
| P-23815519 | 90 | Main component | in stock |
| P-579710291 | 98 | Main component | in stock |
| P-1274332352 | 95 | Main component | unavailable |
| P-869108119 | 95 | Main component | 21.268 g |
| P-888627159 | 95 | Main component | 19.225 g |
| P-502335884 | 90 | Main component | in stock |
| P-1272923498 | 94 | Main component | by resynthesis (? - ? days) |
| P-22446801 | 90 | Main component | 43 mg |
| P-464681800 | 90 | Main component | 614 mg |
| P-825257 | 90 | Main component | 614 mg |
| P-875763788 | 98 | Main component as a main component | in stock |
| P-1264055766 | 99 | Main component as a main component | in stock |
| P-893618377 | 90 | Main component as a main component | in stock |
| P-873292187 | 98 | Main component as a main component | 4 g |
| P-905462513 | 95 | Main component as a main component | in stock |
| P-901525599 | 95 | Main component as a main component | by synthesis |
| P-887189479 | 95 | Main component as a main component | by synthesis |
| P-854719379 | 95 | Main component as a main component | in stock |
| P-1275093432 | 95 | Main component as a main component | in stock |
| P-896072710 | 95 | Main component as a main component | in stock |
| P-892293609 | 95 | Main component as a main component | unavailable |
| P-869156769 | 95 | Main component as a main component | 275 mg |
| P-888653007 | 95 | Main component as a main component | 217 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 367.204 |
| logP | 4.5468 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 131.01 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 82.4294 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 12 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| 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 |
