Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1696075556-0
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 | 30 USD | 98 | 20 working days | Get Quote |
| 5 mg | 30 USD | 98 | 20 working days | Get Quote |
| 10 mg | 30 USD | 98 | 20 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-1696075556-0.sdf |
| SMILES | MCULE-1696075556-0.smiles |
| Standard InChI | MCULE-1696075556-0.inchi |
| InChIKey | MCULE-1696075556-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886540457 | 97 | As is | in stock |
| P-901257188 | N/A | As is | in stock |
| P-590384736 | 95 | As is | in stock |
| P-903046431 | 98 | As is | 5 g |
| P-893600287 | 90 | As is | 35.858 g |
| P-907313371 | 95 | As is | by synthesis |
| P-606863529 | N/A | As is | in stock |
| P-489149337 | 97 | As is | in stock |
| P-881089469 | 98 | As is | 25 g |
| P-494345526 | 95 | As is | 500 mg |
| P-889528159 | 95 | As is | in stock |
| P-902968815 | 98 | As is | 13.744 g |
| P-901486996 | 95 | As is | by synthesis |
| P-851265101 | 95 | As is | by synthesis |
| P-868631668 | 97 | As is | in stock |
| P-580415258 | 95 | As is | by resynthesis (? - ? days) |
| P-862028573 | 95 | As is | 7 g |
| P-890217490 | 90 | As is | 1000 mg |
| P-590339920 | 90 | As is | 1000 mg |
| P-502554270 | 95 | As is | by synthesis |
| P-454344619 | 90 | As is | 26 mg |
| P-601043898 | 90 | As is | 438 mg |
| P-601084240 | 95 | As is | 438 mg |
| P-852499245 | N/A | As is | in stock |
| P-35196788 | 90 | As is | 227 g |
| P-874449094 | 95 | As is | in stock |
| P-502396542 | 90 | As is | in stock |
| P-906878356 | 98 | As is | by synthesis |
| P-611586743 | 90 | As is | in stock |
| P-894012670 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.214 |
| logP | 0.85488 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 49.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.679 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| 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 |
