Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9221352157
Compound
Show structures
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 | 16 USD | 98 | 20 working days | Get Quote |
| 5 mg | 16 USD | 98 | 20 working days | Get Quote |
| 10 mg | 16 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-6870692454
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9221352157.sdf |
| SMILES | MCULE-9221352157.smiles |
| Standard InChI | MCULE-9221352157.inchi |
| InChIKey | MCULE-9221352157.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566248 | 98 | As is | in stock |
| P-867485953 | N/A | As is | by synthesis |
| P-875726038 | N/A | As is | in stock |
| P-590379470 | 98 | As is | in stock |
| P-903054919 | 98 | As is | 25 g |
| P-610978212 | 90 | As is | 208 g |
| P-851649324 | N/A | As is | by synthesis |
| P-489116446 | 97 | As is | in stock |
| P-596987515 | 98 | As is | 15 g |
| P-864101267 | 95 | As is | in stock |
| P-590862278 | 95 | As is | by synthesis |
| P-901459231 | 95 | As is | by synthesis |
| P-454728823 | 90 | As is | in stock |
| P-436472283 | 95 | As is | 500 g |
| P-878236401 | 95 | As is | by synthesis |
| P-868578368 | 95 | As is | in stock |
| P-905317042 | 95 | As is | in stock |
| P-870646882 | N/A | As is | in stock |
| P-563532819 | 95 | As is | 250 g |
| P-563438907 | 97 | As is | 5 g |
| P-524181622 | 97 | As is | 5 g |
| P-608099690 | 95 | As is | unavailable |
| P-852532302 | N/A | As is | in stock |
| P-902978557 | 95 | As is | in stock |
| P-608277829 | 98 | As is | in stock |
| P-500382017 | 98 | As is | by synthesis |
| P-885550664 | 95 | As is | by synthesis |
| P-19785219 | 90 | As is | in stock |
| P-464618520 | 95 | As is | by synthesis |
| P-892286130 | 95 | As is | unavailable |
| P-888626561 | 95 | As is | 204 mg |
| P-906772281 | 98 | As is | by synthesis |
| P-906777369 | 95 | As is | by synthesis |
| P-906777370 | 98 | As is | by synthesis |
| P-906876701 | 98 | As is | by synthesis |
| P-854992685 | 90 | As is | in stock |
| P-893939712 | 95 | As is | in stock |
| P-666982676 | 95 | As is | in stock |
| P-892961428 | N/A | As a main component | by synthesis |
| P-904528887 | 95 | As a main component | in stock |
| P-851462820 | N/A | As a main component | by synthesis |
| P-611019099 | 95 | As a main component | by synthesis |
| P-895555506 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 119.119 |
| logP | -0.519 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 83.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 26.983 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
