Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8972206051
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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-8972206051.sdf |
| SMILES | MCULE-8972206051.smiles |
| Standard InChI | MCULE-8972206051.inchi |
| InChIKey | MCULE-8972206051.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867624283 | 95 | As is | in stock |
| P-875786844 | N/A | As is | in stock |
| P-612940084 | 95 | As is | in stock |
| P-851423818 | N/A | As is | by synthesis |
| P-596511307 | 90 | As is | 1000 mg |
| P-596343266 | 90 | As is | 1000 mg |
| P-901351320 | 95 | As is | by synthesis |
| P-590778524 | 95 | As is | by synthesis |
| P-492256724 | 95 | As is | in stock |
| P-619932835 | 90 | As is | by synthesis |
| P-607699336 | 90 | As is | 20 mg |
| P-436454988 | 95 | As is | 15 g |
| P-861528216 | 95 | As is | by synthesis |
| P-502455595 | 95 | As is | by synthesis |
| P-503826697 | 90 | As is | by synthesis |
| P-502715385 | 90 | As is | in stock |
| P-492216690 | 95 | As is | in stock |
| P-488550327 | 90 | As is | in stock |
| P-13742903 | 92 | As is | 300 mg |
| P-855972419 | 95 | As is | 10 g |
| P-613304226 | 95 | As is | by synthesis |
| P-852380425 | N/A | As is | in stock |
| P-854920898 | 95 | As is | by synthesis |
| P-12983762 | 90 | As is | 1 mg |
| P-454372028 | 92 | As is | in stock |
| P-13974528 | 92 | As is | 300 mg |
| P-18919555 | 90 | As is | in stock |
| P-23393811 | 90 | As is | 13 mg |
| P-33807616 | 90 | As is | in stock |
| P-502352203 | 90 | As is | in stock |
| P-23325480 | 94 | As is | by resynthesis (? - ? days) |
| P-903644728 | 94 | As is | by resynthesis (? - ? days) |
| P-611396660 | 90 | As is | in stock |
| P-3240841 | 90 | As is | 1.118 g |
| P-893674170 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 211.690 |
| logP | 2.5754 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 29.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 61.298 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| 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 |
