Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4022615224
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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-4022615224.sdf |
| SMILES | MCULE-4022615224.smiles |
| Standard InChI | MCULE-4022615224.inchi |
| InChIKey | MCULE-4022615224.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886655483 | 95 | As is | in stock |
| P-889952496 | N/A | As is | by synthesis |
| P-894642403 | 95 | As is | in stock |
| P-903216344 | 95 | As is | 2.5 g |
| P-851466619 | N/A | As is | by synthesis |
| P-889807275 | 95 | As is | by synthesis |
| P-590794108 | 95 | As is | by synthesis |
| P-504734331 | 85 | As is | 5 mg |
| P-893361154 | 90 | As is | 1000 mg |
| P-454756808 | 90 | As is | in stock |
| P-454719674 | 90 | As is | in stock |
| P-607762757 | 90 | As is | 26 mg |
| P-436462847 | 95 | As is | 10 g |
| P-861534428 | 95 | As is | by synthesis |
| P-34525219 | 90 | As is | by synthesis |
| P-580776451 | 90 | As is | by resynthesis (? - ? days) |
| P-580765842 | 90 | As is | in stock |
| P-18819696 | 90 | As is | 73 mg |
| P-613280080 | 95 | As is | by synthesis |
| P-580507155 | 95 | As is | by synthesis |
| P-852396303 | N/A | As is | in stock |
| P-854878987 | 95 | As is | by synthesis |
| P-885515701 | 95 | As is | by synthesis |
| P-23868917 | 90 | As is | in stock |
| P-33488507 | 90 | As is | in stock |
| P-502342572 | 90 | As is | in stock |
| P-855220776 | 90 | As is | in stock |
| P-596525754 | 90 | As is | 1.266 g |
| P-1174610 | 90 | As is | 1.266 g |
| P-893728641 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.201 |
| logP | 2.254 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.3428 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
