Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8804773579
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 | 78 USD | 98 | 20 working days | Get Quote |
| 5 mg | 78 USD | 98 | 20 working days | Get Quote |
| 10 mg | 78 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.
| Name | File |
|---|---|
| SDF | MCULE-8804773579.sdf |
| SMILES | MCULE-8804773579.smiles |
| Standard InChI | MCULE-8804773579.inchi |
| InChIKey | MCULE-8804773579.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867653709 | 98 | As is | in stock |
| P-875821510 | 95 | As is | in stock |
| P-869281554 | 95 | As is | by resynthesis (? - ? days) |
| P-903183393 | 98 | As is | 2 g |
| P-610964099 | 90 | As is | 37.75 g |
| P-1270380580 | 98 | As is | in stock |
| P-893301470 | 95 | As is | in stock |
| P-606905896 | N/A | As is | in stock |
| P-865924500 | 98 | As is | 5 g |
| P-1273402185 | 95 | As is | by resynthesis (? - ? days) |
| P-864116548 | 95 | As is | in stock |
| P-591105228 | 98 | As is | by synthesis |
| P-901420402 | 95 | As is | by synthesis |
| P-861267898 | 95 | As is | in stock |
| P-905265878 | 95 | As is | in stock |
| P-862099267 | 98 | As is | 5 g |
| P-563520007 | 95 | As is | 250 mg |
| P-608099668 | 95 | As is | in stock |
| P-1279055519 | N/A | As is | by synthesis |
| P-1275888901 | 95 | As is | in stock |
| P-888867943 | N/A | As is | in stock |
| P-579707163 | N/A | As is | in stock |
| P-613803016 | 95 | As is | in stock |
| P-596756282 | 97 | As is | 5.2 g |
| P-906893879 | 98 | As is | by synthesis |
| P-611590947 | 90 | As is | in stock |
| P-1279259042 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.600 |
| logP | 2.5195 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.268 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
