Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3556686443
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 | 36 USD | 95 | 22 working days | Get Quote |
| 5 mg | 36 USD | 95 | 22 working days | Get Quote |
| 10 mg | 36 USD | 95 | 22 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.
-
MCULE-5804793068
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3556686443.sdf |
| SMILES | MCULE-3556686443.smiles |
| Standard InChI | MCULE-3556686443.inchi |
| InChIKey | MCULE-3556686443.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867660112 | 95 | As is | in stock |
| P-875828314 | N/A | As is | in stock |
| P-874634229 | 95 | As is | in stock |
| P-489127643 | 97 | As is | in stock |
| P-901340359 | 95 | As is | by synthesis |
| P-288168 | 90 | As is | 5 mg |
| P-34883999 | 90 | As is | in stock |
| P-492243050 | 95 | As is | in stock |
| P-873242598 | 97 | As is | 10 mg |
| P-896629799 | 95 | As is | by synthesis |
| P-854713355 | 95 | As is | in stock |
| P-584620812 | 95 | As is | in stock |
| P-12736446 | 90 | As is | 850 mg |
| P-500405270 | 95 | As is | by synthesis |
| P-19039044 | 90 | As is | in stock |
| P-22521423 | 90 | As is | 60 mg |
| P-611467398 | 90 | As is | in stock |
| P-25623984 | 90 | As is | 8 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.091 |
| logP | 3.0915 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.9517 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
