Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5063215596
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 | 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 |
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-5063215596.sdf |
| SMILES | MCULE-5063215596.smiles |
| Standard InChI | MCULE-5063215596.inchi |
| InChIKey | MCULE-5063215596.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886591636 | 95 | As is | in stock |
| P-889917307 | N/A | As is | by synthesis |
| P-869222031 | 95 | As is | in stock |
| P-903120170 | 95 | As is | 5 g |
| P-893508229 | 90 | As is | 4.632 g |
| P-851878069 | N/A | As is | by synthesis |
| P-889801019 | 95 | As is | by synthesis |
| P-591037344 | 95 | As is | by synthesis |
| P-454664135 | 90 | As is | in stock |
| P-436476963 | 95 | As is | 5 g |
| P-861526992 | 95 | As is | by synthesis |
| P-888750901 | 90 | As is | in stock |
| P-666730195 | 90 | As is | in stock |
| P-569192701 | 90 | As is | in stock |
| P-569433808 | 95 | As is | 38.52 g |
| P-904104543 | 95 | As is | 5 g |
| P-502971142 | 90 | As is | in stock |
| P-580005265 | 95 | As is | in stock |
| P-488550181 | 90 | As is | in stock |
| P-13737635 | 95 | As is | 300 mg |
| P-596596073 | 90 | As is | 1000 mg |
| P-14055572 | 95 | As is | 329 mg |
| P-601074173 | 90 | As is | 329 mg |
| P-852505685 | N/A | As is | in stock |
| P-895262548 | 95 | As is | by synthesis |
| P-620223629 | 95 | As is | 38.52 g |
| P-34030503 | 90 | As is | 38.52 g |
| P-454368568 | 92 | As is | in stock |
| P-864657353 | 92 | As is | 300 mg |
| P-856065776 | 95 | As is | in stock |
| P-520057845 | 90 | As is | in stock |
| P-906815425 | 98 | As is | by synthesis |
| P-611443894 | 90 | As is | in stock |
| P-2108870 | 90 | As is | 123 mg |
| P-893745845 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.609 |
| logP | 1.3401 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 43.08 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.565 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
