Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5591471266-0
Structure
Show compound
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 | 6 USD | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 14 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-5591471266-0.sdf |
| SMILES | MCULE-5591471266-0.smiles |
| Standard InChI | MCULE-5591471266-0.inchi |
| InChIKey | MCULE-5591471266-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564155 | 97 | As is | in stock |
| P-875723354 | N/A | As is | in stock |
| P-869182238 | 98 | As is | in stock |
| P-505353837 | 99 | As is | in stock |
| P-903052776 | 95 | As is | 14 kg |
| P-907317451 | 95 | As is | by synthesis |
| P-606888128 | N/A | As is | in stock |
| P-596946332 | 95 | As is | 50 kg |
| P-872728293 | 98 | As is | in stock |
| P-895956365 | 95 | As is | 25 g |
| P-864183951 | 95 | As is | in stock |
| P-580704453 | 97 | As is | 3.75 kg |
| P-901414560 | 95 | As is | in stock |
| P-868576631 | 98 | As is | in stock |
| P-580286958 | N/A | As is | by resynthesis (? - ? days) |
| P-905336771 | 97 | As is | 7.611 kg |
| P-861984710 | 97 | As is | 7.611 kg |
| P-870657766 | 95 | As is | in stock |
| P-505545030 | 95 | As is | in stock |
| P-488550508 | 90 | As is | in stock |
| P-580093579 | N/A | As is | in stock |
| P-580093615 | N/A | As is | in stock |
| P-855992539 | 98 | As is | 100 mg |
| P-524163748 | 98 | As is | 500 g |
| P-31253253 | 90 | As is | 10 g |
| P-856041861 | 90 | As is | 10 g |
| P-613282106 | 95 | As is | by synthesis |
| P-580491131 | 95 | As is | by synthesis |
| P-852605811 | N/A | As is | in stock |
| P-902971396 | 95 | As is | by synthesis |
| P-899991536 | 95 | As is | by synthesis |
| P-854691752 | 95 | As is | in stock |
| P-878643925 | 98 | As is | in stock |
| P-12390746 | 90 | As is | 1.65 g |
| P-492274275 | 90 | As is | 1.65 g |
| P-454368852 | 92 | As is | in stock |
| P-500404482 | 98 | As is | by synthesis |
| P-885539376 | 95 | As is | by synthesis |
| P-519886465 | 90 | As is | in stock |
| P-596785275 | 95 | As is | 3.25 kg |
| P-892226628 | 95 | As is | by synthesis |
| P-869175894 | 95 | As is | in stock |
| P-892290260 | 95 | As is | 995 mg |
| P-892320320 | 95 | As is | 995 mg |
| P-502366918 | 90 | As is | in stock |
| P-906758770 | 95 | As is | by synthesis |
| P-611434082 | 90 | As is | in stock |
| P-893995226 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 134.175 |
| logP | 2.1976 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.6025 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 10 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
