Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5553645045
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 20 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-8447568734
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5553645045.sdf |
| SMILES | MCULE-5553645045.smiles |
| Standard InChI | MCULE-5553645045.inchi |
| InChIKey | MCULE-5553645045.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579992 | 95 | As is | in stock |
| P-875739487 | 99 | As is | in stock |
| P-1275176087 | 98 | As is | in stock |
| P-1275147038 | 95 | As is | in stock |
| P-903069923 | 99 | As is | 600 g |
| P-851954694 | N/A | As is | in stock |
| P-597006291 | 98 | As is | 1.7 kg |
| P-494327964 | 95 | As is | by resynthesis (? - ? days) |
| P-889791848 | 95 | As is | in stock |
| P-868596524 | 97 | As is | in stock |
| P-862056833 | 98 | As is | 15.5261 kg |
| P-1264356047 | 98 | As is | 550 g |
| P-878212617 | 95 | As is | 500 mg |
| P-905476281 | 95 | As is | in stock |
| P-31270346 | 90 | As is | 5 g |
| P-854693206 | 95 | As is | in stock |
| P-899992108 | 95 | As is | by synthesis |
| P-889884775 | 95 | As is | by synthesis |
| P-1274328486 | 95 | As is | in stock |
| P-1274334690 | 95 | As is | unavailable |
| P-892263715 | 95 | As is | 24.997 g |
| P-892345024 | 95 | As is | 24.997 g |
| P-855007293 | 90 | As is | in stock |
| P-1271645932 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 88.148 |
| logP | 1.1673 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 27.3108 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
