Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7502231372
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 25 USD | 98 | 16 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-7502231372.sdf |
| SMILES | MCULE-7502231372.smiles |
| Standard InChI | MCULE-7502231372.inchi |
| InChIKey | MCULE-7502231372.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875835789 | N/A | As is | in stock |
| P-869187251 | 95 | As is | in stock |
| P-505353922 | 98 | As is | in stock |
| P-893618205 | 90 | As is | 4.09 g |
| P-489168138 | 97 | As is | in stock |
| P-864252148 | 95 | As is | by synthesis |
| P-893237833 | 95 | As is | in stock |
| P-861277015 | 95 | As is | in stock |
| P-861430029 | 95 | As is | by synthesis |
| P-505493752 | 95 | As is | in stock |
| P-524443033 | 97 | As is | 92 mg |
| P-896627157 | 95 | As is | by synthesis |
| P-854720619 | 95 | As is | in stock |
| P-878643851 | 98 | As is | in stock |
| P-885537942 | 95 | As is | by synthesis |
| P-869124802 | 95 | As is | by synthesis |
| P-892290503 | 95 | As is | unavailable |
| P-888638506 | 95 | As is | 103 mg |
| P-22506731 | 90 | As is | 10 mg |
| P-611443418 | 90 | As is | in stock |
| P-480598410 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 352.469 |
| logP | 4.8424 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 49.41 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 106.2137 |
| Atoms | 54 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 28 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
