Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5539955507
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 | 170 USD | 95 | 12 working days | Get Quote |
| 5 mg | 282 USD | 98 | 11 working days | Get Quote |
| 10 mg | 563 USD | 98 | 11 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-5539955507.sdf |
| SMILES | MCULE-5539955507.smiles |
| Standard InChI | MCULE-5539955507.inchi |
| InChIKey | MCULE-5539955507.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266088023 | 98 | As is | in stock |
| P-901268197 | 98 | As is | in stock |
| P-869288196 | 95 | As is | by resynthesis (? - ? days) |
| P-903130514 | 98 | As is | 75 mg |
| P-893592072 | 90 | As is | 195 mg |
| P-1270393327 | 98 | As is | in stock |
| P-1263694791 | N/A | As is | in stock |
| P-25940345 | 70 | As is | 95 mg |
| P-892189840 | 98 | As is | 35 mg |
| P-1274803731 | 95 | As is | by resynthesis (? - ? days) |
| P-905451453 | 95 | As is | by synthesis |
| P-893245880 | 95 | As is | in stock |
| P-452656868 | 98 | As is | in stock |
| P-1266982043 | 95 | As is | by synthesis |
| P-878208923 | 95 | As is | 5 mg |
| P-900992013 | 95 | As is | in stock |
| P-892307250 | 95 | As is | in stock |
| P-869170068 | 95 | As is | 193 mg |
| P-888662735 | 95 | As is | 191 mg |
| P-1271620845 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 300.262 |
| logP | 2.5854 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 100.13 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 80.481 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
