Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9857698332
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 | 33 USD | 95 | 21 working days | Get Quote |
| 5 mg | 33 USD | 95 | 21 working days | Get Quote |
| 10 mg | 33 USD | 95 | 21 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.
| Name | File |
|---|---|
| SDF | MCULE-9857698332.sdf |
| SMILES | MCULE-9857698332.smiles |
| Standard InChI | MCULE-9857698332.inchi |
| InChIKey | MCULE-9857698332.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867601073 | 95 | As is | in stock |
| P-875758478 | N/A | As is | in stock |
| P-869273598 | 95 | As is | in stock |
| P-903094034 | 95 | As is | 2.5 g |
| P-580216201 | 95 | As is | by synthesis |
| P-851641114 | N/A | As is | by synthesis |
| P-596386381 | 90 | As is | 1000 mg |
| P-596513650 | 90 | As is | 1000 mg |
| P-889808466 | 95 | As is | by synthesis |
| P-590854142 | 95 | As is | by synthesis |
| P-492248066 | 95 | As is | in stock |
| P-454635302 | 90 | As is | in stock |
| P-448685201 | 90 | As is | 108.595 g |
| P-436448197 | 95 | As is | in stock |
| P-425222041 | 90 | As is | in stock |
| P-20001543 | 90 | As is | in stock |
| P-861537917 | 95 | As is | by synthesis |
| P-34773374 | 90 | As is | by synthesis |
| P-579490329 | 90 | As is | 9.65 g |
| P-890206389 | 90 | As is | 9.65 g |
| P-502760793 | 90 | As is | in stock |
| P-492217738 | 95 | As is | in stock |
| P-524171939 | 95 | As is | 93 mg |
| P-588717242 | 95 | As is | 93 mg |
| P-888159717 | 95 | As is | by synthesis |
| P-14426479 | 90 | As is | 210 mg |
| P-852398371 | N/A | As is | in stock |
| P-854791523 | 95 | As is | by synthesis |
| P-12267019 | 90 | As is | 4.998 g |
| P-492273334 | 95 | As is | 4.998 g |
| P-1263768246 | 95 | As is | in stock |
| P-18828684 | 90 | As is | in stock |
| P-502326818 | 90 | As is | in stock |
| P-22453132 | 90 | As is | 436 mg |
| P-611428606 | 90 | As is | in stock |
| P-893663319 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.076 |
| logP | 2.8987 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.5267 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
