Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7032577795-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7032577795-0.sdf |
| SMILES | MCULE-7032577795-0.smiles |
| Standard InChI | MCULE-7032577795-0.inchi |
| InChIKey | MCULE-7032577795-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885967569 | N/A | As is | by synthesis |
| P-1265046592 | N/A | As is | by synthesis |
| P-869973339 | 90 | As is | 497 mg |
| P-4364940 | 90 | As is | 87 mg |
| P-425323364 | 90 | As is | in stock |
| P-34566843 | 90 | As is | by synthesis |
| P-12377075 | 92 | As is | 300 mg |
| P-31211488 | 90 | As is | 250 mg |
| P-14161607 | 90 | As is | 44 mg |
| P-35174058 | 90 | As is | in stock |
| P-622096872 | 90 | As is | by synthesis |
| P-864657057 | 92 | As is | 300 mg |
| P-34122349 | 90 | As is | in stock |
| P-896121204 | 90 | As is | 12 mg |
| P-875280156 | 90 | As is | 5 mg |
| P-888361447 | 94 | As is | by resynthesis (? - ? days) |
| P-680726 | 90 | As is | 198 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 328.406 |
| logP | 4.5515 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 24.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 108.754 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
