Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5740704475
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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 74 USD | 90 | 21 working days | Get Quote |
| 10 mg | 76 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5740704475.sdf |
| SMILES | MCULE-5740704475.smiles |
| Standard InChI | MCULE-5740704475.inchi |
| InChIKey | MCULE-5740704475.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886608731 | 95 | As is | in stock |
| P-875793980 | 95 | As is | in stock |
| P-613847687 | 95 | As is | by resynthesis (? - ? days) |
| P-903145564 | 95 | As is | 5 g |
| P-580216892 | 95 | As is | by synthesis |
| P-851682360 | N/A | As is | by synthesis |
| P-579786568 | 95 | As is | by resynthesis (? - ? days) |
| P-901350428 | 95 | As is | by synthesis |
| P-591054546 | 95 | As is | by synthesis |
| P-454635400 | 90 | As is | in stock |
| P-436452289 | 95 | As is | in stock |
| P-590341378 | 90 | As is | 30 g |
| P-890218932 | 90 | As is | in stock |
| P-502466347 | 95 | As is | by synthesis |
| P-492218220 | 95 | As is | in stock |
| P-855908383 | 95 | As is | 4.645 g |
| P-855991911 | 95 | As is | 4.645 g |
| P-888159690 | 95 | As is | by synthesis |
| P-852406424 | N/A | As is | by synthesis |
| P-854917794 | 95 | As is | by synthesis |
| P-617691439 | 90 | As is | 200 mg |
| P-12632782 | 90 | As is | 200 mg |
| P-519860972 | 90 | As is | in stock |
| P-33806296 | 90 | As is | in stock |
| P-502353181 | 90 | As is | in stock |
| P-611591903 | 90 | As is | in stock |
| P-893833484 | 96 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.659 |
| logP | 2.2783 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 20.31 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.259 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
