Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1540202740
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 | 37 USD | 95 | 22 working days | Get Quote |
| 5 mg | 37 USD | 95 | 22 working days | Get Quote |
| 10 mg | 58 USD | 95 | 22 working days | Get Quote |
- 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-1540202740.sdf |
| SMILES | MCULE-1540202740.smiles |
| Standard InChI | MCULE-1540202740.inchi |
| InChIKey | MCULE-1540202740.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892863059 | 95 | As is | in stock |
| P-902996460 | 95 | As is | by resynthesis (? - ? days) |
| P-893453498 | 90 | As is | 936 mg |
| P-1270378964 | 95 | As is | in stock |
| P-892509817 | N/A | As is | in stock |
| P-895099914 | 95 | As is | 500 mg |
| P-1273255442 | 95 | As is | by resynthesis (? - ? days) |
| P-904965477 | 95 | As is | in stock |
| P-901539201 | 95 | As is | by synthesis |
| P-4513921 | 90 | As is | 100 mg |
| P-3626824 | 90 | As is | 70 mg |
| P-503080567 | 90 | As is | by synthesis |
| P-31133516 | 90 | As is | unavailable |
| P-12288094 | 90 | As is | 19 mg |
| P-19018373 | 90 | As is | in stock |
| P-22489830 | 90 | As is | 200 mg |
| P-611371985 | 90 | As is | in stock |
| P-2586621 | 90 | As is | 60 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 355.359 |
| logP | 4.783 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 99.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 89.0357 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
