Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2244989581-0
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 | 21 USD | 97 | 27 working days | Get Quote |
| 5 mg | 21 USD | 97 | 27 working days | Get Quote |
| 10 mg | 21 USD | 97 | 27 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-2244989581-0.sdf |
| SMILES | MCULE-2244989581-0.smiles |
| Standard InChI | MCULE-2244989581-0.inchi |
| InChIKey | MCULE-2244989581-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852095590 | 97 | As is | by synthesis |
| P-901196415 | N/A | As is | by synthesis |
| P-590357492 | 95 | As is | in stock |
| P-851666330 | N/A | As is | by synthesis |
| P-901339670 | 95 | As is | by synthesis |
| P-591020268 | 95 | As is | by synthesis |
| P-427959028 | 90 | As is | 5 mg |
| P-454755132 | 90 | As is | in stock |
| P-454695012 | 90 | As is | in stock |
| P-607760917 | 90 | As is | 27 mg |
| P-436447642 | 95 | As is | 25 g |
| P-20010434 | 90 | As is | in stock |
| P-861470114 | 95 | As is | by synthesis |
| P-34795337 | 90 | As is | by synthesis |
| P-580775263 | 90 | As is | by resynthesis (? - ? days) |
| P-580764745 | 90 | As is | in stock |
| P-502448132 | 95 | As is | by synthesis |
| P-502782545 | 90 | As is | in stock |
| P-492215013 | 95 | As is | in stock |
| P-870640925 | 97 | As is | 100 mg |
| P-596579985 | 97 | As is | 1000 mg |
| P-14414144 | 90 | As is | 4.517 g |
| P-468062026 | 95 | As is | 4.517 g |
| P-580476866 | N/A | As is | by synthesis |
| P-852397899 | N/A | As is | in stock |
| P-896546873 | 95 | As is | by synthesis |
| P-492276486 | 96 | As is | 6.15 g |
| P-12413401 | 90 | As is | 6.15 g |
| P-596794359 | 95 | As is | by synthesis |
| P-19205541 | 90 | As is | in stock |
| P-12734946 | 90 | As is | 40 mg |
| P-33465046 | 90 | As is | in stock |
| P-502341709 | 90 | As is | in stock |
| P-888432789 | 94 | As is | by resynthesis (? - ? days) |
| P-888433050 | 94 | As is | by resynthesis (? - ? days) |
| P-906863949 | 97 | As is | by synthesis |
| P-855220463 | 90 | As is | in stock |
| P-1022294 | 90 | As is | 2.788 g |
| P-3230707 | 90 | As is | 2.788 g |
| P-615417101 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.315 |
| logP | 3.6735 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.4049 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
