Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8564845671
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-8564845671.sdf |
| SMILES | MCULE-8564845671.smiles |
| Standard InChI | MCULE-8564845671.inchi |
| InChIKey | MCULE-8564845671.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553372 | 98 | As is | in stock |
| P-875711895 | 98 | As is | in stock |
| P-597025370 | 98 | As is | unavailable |
| P-1275158839 | 95 | As is | in stock |
| P-1275177848 | 98 | As is | in stock |
| P-903038666 | 98 | As is | 2.6497 kg |
| P-905480472 | 98 | As is | 1000 g |
| P-1270387836 | 98 | As is | in stock |
| P-580238943 | 95 | As is | by synthesis |
| P-606850673 | N/A | As is | in stock |
| P-489118115 | 97 | As is | in stock |
| P-596927074 | 98 | As is | 25 kg |
| P-494346119 | 95 | As is | 532.4 g |
| P-864109305 | 95 | As is | in stock |
| P-580698336 | 98 | As is | 2.786 kg |
| P-893223054 | 95 | As is | in stock |
| P-851247986 | 95 | As is | by synthesis |
| P-868559333 | 98 | As is | in stock |
| P-580285242 | N/A | As is | by resynthesis (? - ? days) |
| P-901367705 | 97 | As is | 294.8 g |
| P-905330503 | 97 | As is | 4.755 kg |
| P-505514189 | 95 | As is | in stock |
| P-454419249 | 95 | As is | 181.86 g |
| P-454355883 | 95 | As is | 181.86 g |
| P-579611888 | 98 | As is | in stock |
| P-580482967 | N/A | As is | by synthesis |
| P-852379371 | N/A | As is | by synthesis |
| P-1272563047 | N/A | As is | in stock |
| P-855402443 | 95 | As is | in stock |
| P-885551079 | 95 | As is | by synthesis |
| P-498666516 | 97 | As is | 71.9716 kg |
| P-906764885 | 98 | As is | by synthesis |
| P-611424226 | 90 | As is | in stock |
| P-1279172480 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.890 |
| logP | 1.1872 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 36.92 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.398 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
