Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9828880650
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 |
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-9828880650.sdf |
| SMILES | MCULE-9828880650.smiles |
| Standard InChI | MCULE-9828880650.inchi |
| InChIKey | MCULE-9828880650.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867556297 | 98 | As is | in stock |
| P-875715343 | N/A | As is | in stock |
| P-869188867 | 95 | As is | in stock |
| P-505398065 | 98 | As is | in stock |
| P-903042857 | 98 | As is | 1.9 kg |
| P-905478010 | 98 | As is | 1000 g |
| P-907308678 | 95 | As is | 284 g |
| P-901166022 | 98 | As is | in stock |
| P-580239583 | 95 | As is | by synthesis |
| P-606864740 | N/A | As is | in stock |
| P-489154867 | 97 | As is | in stock |
| P-596943524 | 98 | As is | 1000 g |
| P-895928125 | 95 | As is | by resynthesis (? - ? days) |
| P-494349974 | 95 | As is | 69.96 g |
| P-864098745 | 95 | As is | in stock |
| P-580705256 | 98 | As is | 1.171 kg |
| P-901452992 | 95 | As is | by synthesis |
| P-505573124 | 98 | As is | in stock |
| P-492248662 | 95 | As is | in stock |
| P-619926610 | 90 | As is | by synthesis |
| P-436448967 | 95 | As is | 65 g |
| P-19957508 | 90 | As is | in stock |
| P-878235902 | 95 | As is | by synthesis |
| P-861268436 | 95 | As is | in stock |
| P-868582719 | 97 | As is | in stock |
| P-34486189 | 90 | As is | by synthesis |
| P-580423225 | 95 | As is | by resynthesis (? - ? days) |
| P-905336160 | 97 | As is | 175 g |
| P-861982934 | 97 | As is | 2.14229 kg |
| P-870655626 | N/A | As is | in stock |
| P-505494290 | 95 | As is | in stock |
| P-454332794 | 95 | As is | 165 mg |
| P-454408466 | 95 | As is | 100 g |
| P-615647105 | 95 | As is | in stock |
| P-579611921 | 98 | As is | unavailable |
| P-580495508 | 97 | As is | by synthesis |
| P-852385881 | N/A | As is | in stock |
| P-854725549 | 95 | As is | in stock |
| P-870989299 | 90 | As is | 70 mg |
| P-888871733 | N/A | As is | in stock |
| P-500408482 | 98 | As is | by synthesis |
| P-885525895 | 95 | As is | by synthesis |
| P-19573817 | 90 | As is | in stock |
| P-579704189 | N/A | As is | in stock |
| P-596745982 | 98 | As is | 1.282 kg |
| P-22636901 | 90 | As is | in stock |
| P-502362755 | 90 | As is | in stock |
| P-888447571 | 94 | As is | by resynthesis (? - ? days) |
| P-906898843 | 97 | As is | in stock |
| P-906765853 | 98 | As is | by synthesis |
| P-906846061 | 98 | As is | by synthesis |
| P-906791357 | 97 | As is | by synthesis |
| P-906787568 | 97 | As is | by synthesis |
| P-611371444 | 90 | As is | in stock |
| P-25622802 | 90 | As is | 1.688 g |
| P-3235880 | 90 | As is | 1.688 g |
| P-615392482 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.026 |
| logP | 1.7219 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.17 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.8562 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| 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 |
