Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5050453825-0
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 | 41 USD | 95 | 12 working days | Get Quote |
| 5 mg | 71 USD | 98 | 22 working days | Get Quote |
| 10 mg | 101 USD | 98 | 22 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.
-
MCULE-6918438427-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5050453825-0.sdf |
| SMILES | MCULE-5050453825-0.smiles |
| Standard InChI | MCULE-5050453825-0.inchi |
| InChIKey | MCULE-5050453825-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885897311 | 98 | As is | by synthesis |
| P-901190130 | N/A | As is | by synthesis |
| P-893453592 | 90 | As is | 100 mg |
| P-851559484 | N/A | As is | by synthesis |
| P-895096471 | N/A | As is | 50 mg |
| P-590883222 | 98 | As is | by synthesis |
| P-860798797 | 98 | As is | in stock |
| P-1274908878 | 95 | As is | by synthesis |
| P-888621287 | 95 | As is | 5 mg |
| P-854710871 | 95 | As is | by synthesis |
| P-888169036 | 98 | As is | by synthesis |
| P-491319312 | 95 | As is | by synthesis |
| P-892288119 | 95 | As is | unavailable |
| P-869115754 | 95 | As is | 3.059 g |
| P-888631527 | 95 | As is | 3.059 g |
| P-867679773 | 98 | As a main component | in stock |
| P-875857765 | 98 | As a main component | in stock |
| P-869256409 | 95 | As a main component | by resynthesis (? - ? days) |
| P-887312868 | N/A | As a main component | by synthesis |
| P-895106190 | N/A | As a main component | 10 mg |
| P-1273288030 | 95 | As a main component | by resynthesis (? - ? days) |
| P-869420516 | 95 | As a main component | by synthesis |
| P-868544516 | 99 | As a main component | in stock |
| P-591122843 | 98 | As a main component | by synthesis |
| P-579480778 | 95 | As a main component | in stock |
| P-1273111699 | 97 | As a main component | 100 mg |
| P-854720889 | 95 | As a main component | in stock |
| P-872680965 | 95 | As a main component | in stock |
| P-1274332535 | 95 | As a main component | unavailable |
| P-869115755 | 95 | As a main component | 16 mg |
| P-888631528 | 95 | As a main component | 14 mg |
| P-1271622672 | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 386.552 |
| logP | 4.5258 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 69.81 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.1917 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 30 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
