Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5878895853
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 | 46 USD | 95 | 12 working days | Get Quote |
| 5 mg | 75 USD | 99 | 15 working days | Get Quote |
| 10 mg | 75 USD | 99 | 15 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.
| Name | File |
|---|---|
| SDF | MCULE-5878895853.sdf |
| SMILES | MCULE-5878895853.smiles |
| Standard InChI | MCULE-5878895853.inchi |
| InChIKey | MCULE-5878895853.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693945 | 98 | As is | in stock |
| P-875873677 | 98 | As is | in stock |
| P-874635041 | N/A | As is | by resynthesis (? - ? days) |
| P-903368867 | 98 | As is | 150 mg |
| P-893607363 | 90 | As is | 8.849 g |
| P-1270323263 | 99 | As is | in stock |
| P-903000941 | N/A | As is | in stock |
| P-895110930 | 98 | As is | 200 mg |
| P-1273258715 | 95 | As is | by resynthesis (? - ? days) |
| P-1275490671 | 98 | As is | in stock |
| P-902966651 | 99 | As is | 404 mg |
| P-887189473 | 95 | As is | by synthesis |
| P-868659924 | 95 | As is | in stock |
| P-854621438 | 98 | As is | in stock |
| P-873245680 | 97 | As is | 5 mg |
| P-854719453 | 95 | As is | in stock |
| P-1264429999 | 95 | As is | in stock |
| P-892293776 | 95 | As is | unavailable |
| P-892246196 | 95 | As is | 960 mg |
| P-892333008 | 95 | As is | 958 mg |
| P-1271285248 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 383.462 |
| logP | 4.4786 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 73.75 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 106.799 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
