Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5942589566-0
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 | 16 USD | 97 | 20 working days | Get Quote |
| 5 mg | 16 USD | 97 | 20 working days | Get Quote |
| 10 mg | 16 USD | 97 | 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.
-
2
MCULE-8295936189-1
- Component type: Counter Ion
-
1
MCULE-4740333723-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5942589566-0.sdf |
| SMILES | MCULE-5942589566-0.smiles |
| Standard InChI | MCULE-5942589566-0.inchi |
| InChIKey | MCULE-5942589566-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587056 | 98 | As is | in stock |
| P-875745654 | N/A | As is | in stock |
| P-869277634 | 95 | As is | in stock |
| P-903076506 | 97 | As is | 250 g |
| P-867715027 | N/A | As is | in stock |
| P-873291146 | 97 | As is | 50 g |
| P-889579155 | 95 | As is | in stock |
| P-899783312 | 95 | As is | 25 g |
| P-902970075 | 95 | As is | in stock |
| P-620223425 | 95 | As is | 1000 mg |
| P-620068420 | 90 | As is | 1000 mg |
| P-906906798 | 97 | As is | in stock |
| P-906755950 | 97 | As is | by synthesis |
| P-906825079 | 97 | As is | by synthesis |
| P-611351111 | 90 | As is | in stock |
| P-886901377 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 180.203 |
| logP | 0.4862 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 1 |
| PSA | 126.64 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 44.1424 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| 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 |
