Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5081248558-0
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 | 33 USD | 98 | 15 working days | Get Quote |
| 5 mg | 85 USD | 98 | 22 working days | Get Quote |
| 10 mg | 156 USD | 98 | 15 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-5081248558-0.sdf |
| SMILES | MCULE-5081248558-0.smiles |
| Standard InChI | MCULE-5081248558-0.inchi |
| InChIKey | MCULE-5081248558-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616692 | 98 | As is | in stock |
| P-875777835 | 98 | As is | in stock |
| P-892793534 | 95 | As is | by resynthesis (? - ? days) |
| P-1264053819 | 99 | As is | in stock |
| P-893535786 | 90 | As is | 2.069 g |
| P-1270270316 | 98 | As is | in stock |
| P-888730457 | N/A | As is | in stock |
| P-881096233 | 98 | As is | 25 mg |
| P-1273256424 | 95 | As is | by resynthesis (? - ? days) |
| P-889777718 | 95 | As is | in stock |
| P-890237829 | 98 | As is | 33 mg |
| P-901551406 | 95 | As is | by synthesis |
| P-851314716 | 95 | As is | by synthesis |
| P-860799854 | 98 | As is | in stock |
| P-887188057 | 95 | As is | by synthesis |
| P-608495659 | 95 | As is | in stock |
| P-868079260 | 95 | As is | in stock |
| P-873246047 | 97 | As is | 5 mg |
| P-854711502 | 95 | As is | in stock |
| P-872668639 | 95 | As is | in stock |
| P-871066776 | 95 | As is | in stock |
| P-888169675 | 98 | As is | by synthesis |
| P-892288858 | 95 | As is | unavailable |
| P-869118614 | 95 | As is | 145 mg |
| P-888633666 | 95 | As is | 145 mg |
| P-893889184 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 394.452 |
| logP | 4.4074 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 159.51 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 97.9078 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 15 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| 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 |
