Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5247141108
Compound
Show structures
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 | 48 USD | 90 | 22 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 87 USD | 90 | 30 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-5247141108.sdf |
| SMILES | MCULE-5247141108.smiles |
| Standard InChI | MCULE-5247141108.inchi |
| InChIKey | MCULE-5247141108.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892979656 | 90 | As is | by synthesis |
| P-1268981470 | 90 | As is | by synthesis |
| P-504799148 | 90 | As is | 1 mg |
| P-674222523 | 90 | As is | 83 mg |
| P-675044241 | 90 | As is | in stock |
| P-34599130 | 90 | As is | by synthesis |
| P-579525200 | 90 | As is | 10 mg |
| P-492222240 | 95 | As is | in stock |
| P-502929162 | 90 | As is | in stock |
| P-31214151 | 90 | As is | 500 mg |
| P-895345495 | 95 | As is | by synthesis |
| P-492283460 | 95 | As is | 482 mg |
| P-12834763 | 90 | As is | 482 mg |
| P-859990465 | 95 | As is | by synthesis |
| P-19041266 | 90 | As is | in stock |
| P-19787921 | 90 | As is | in stock |
| P-22762264 | 90 | As is | in stock |
| P-502338496 | 90 | As is | in stock |
| P-903955827 | 94 | As is | by resynthesis (? - ? days) |
| P-25038929 | 90 | As is | 113 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.282 |
| logP | 2.3647 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 97.07 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.4281 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| 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 |
