MCULE-5965664388
- 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-5965664388.sdf |
| SMILES | MCULE-5965664388.smiles |
| Standard InChI | MCULE-5965664388.inchi |
| InChIKey | MCULE-5965664388.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570755 | 98 | As is | in stock |
| P-875731182 | N/A | As is | in stock |
| P-869183021 | 95 | As is | in stock |
| P-588247218 | 99 | As is | in stock |
| P-903060483 | 98 | As is | 1.5 kg |
| P-606831548 | N/A | As is | in stock |
| P-596949556 | 98 | As is | 400 g |
| P-589656730 | 95 | As is | by resynthesis (? - ? days) |
| P-864166534 | 98 | As is | in stock |
| P-580696729 | 98 | As is | 646.25 g |
| P-868580391 | 98 | As is | in stock |
| P-580420062 | 95 | As is | by resynthesis (? - ? days) |
| P-862021567 | 98 | As is | 8 g |
| P-505492565 | 95 | As is | in stock |
| P-855995876 | 98 | As is | 100 mg |
| P-524183343 | 98 | As is | 100 g |
| P-615655529 | 95 | As is | in stock |
| P-579630300 | 97 | As is | by resynthesis (? - ? days) |
| P-852631352 | N/A | As is | in stock |
| P-854736801 | 95 | As is | in stock |
| P-500373753 | 97 | As is | by synthesis |
| P-885545037 | 95 | As is | by synthesis |
| P-454062298 | 90 | As is | 12 mg |
| P-596764100 | 98 | As is | 782.5 g |
| P-23119024 | 90 | As is | in stock |
| P-906810886 | 97 | As is | by synthesis |
| P-906797069 | 97 | As is | by synthesis |
| P-906801680 | 98 | As is | by synthesis |
| P-906756627 | 98 | As is | by synthesis |
| P-906824511 | 97 | As is | by synthesis |
| P-906816079 | 95 | As is | by synthesis |
| P-906789974 | 98 | As is | by synthesis |
| P-906797146 | 98 | As is | by synthesis |
| P-906879075 | 99 | As is | by synthesis |
| P-906788482 | 98 | As is | by synthesis |
| P-906786178 | 97 | As is | by synthesis |
| P-906792082 | 97 | As is | by synthesis |
| P-906803609 | 97 | As is | by synthesis |
| P-906828025 | 97 | As is | by synthesis |
| P-906869195 | 95 | As is | by synthesis |
| P-906816221 | 95 | As is | by synthesis |
| P-906763493 | 99 | As is | by synthesis |
| P-906762221 | 98 | As is | by synthesis |
| P-481014350 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.033 |
| logP | 2.9366 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 25.78 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.558 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| 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 |

