Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6851842642
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 | 32 USD | 95 | 7 working days | Get Quote |
| 5 mg | 54 USD | 95 | 7 working days | Get Quote |
| 10 mg | 81 USD | 95 | 7 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-6851842642.sdf |
| SMILES | MCULE-6851842642.smiles |
| Standard InChI | MCULE-6851842642.inchi |
| InChIKey | MCULE-6851842642.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886771186 | N/A | As is | in stock |
| P-890191867 | N/A | As is | in stock |
| P-874624370 | N/A | As is | by resynthesis (? - ? days) |
| P-903397155 | 95 | As is | 100 mg |
| P-1264058192 | 99 | As is | in stock |
| P-893611864 | 90 | As is | 7.449 g |
| P-1270398412 | 95 | As is | in stock |
| P-1264205631 | N/A | As is | by synthesis |
| P-888833855 | 95 | As is | 100 mg |
| P-1273474306 | 95 | As is | by resynthesis (? - ? days) |
| P-889787638 | 95 | As is | in stock |
| P-902965551 | 95 | As is | by synthesis |
| P-893630594 | 95 | As is | by synthesis |
| P-900266762 | 95 | As is | in stock |
| P-873250838 | 97 | As is | 5 mg |
| P-854711654 | 95 | As is | in stock |
| P-875883986 | 95 | As is | in stock |
| P-888174834 | 98 | As is | by synthesis |
| P-26538515 | 90 | As is | 3 mg |
| P-892300564 | 95 | As is | unavailable |
| P-869164625 | 95 | As is | 151 mg |
| P-888659748 | 95 | As is | 151 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 555.645 |
| logP | 6.6038 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 130.01 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.1481 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 29 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
