Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4550170321-0
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 | 10 USD | 97 | 15 working days | Get Quote |
| 5 mg | 12 USD | 97 | 15 working days | Get Quote |
| 10 mg | 15 USD | 97 | 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-4550170321-0.sdf |
| SMILES | MCULE-4550170321-0.smiles |
| Standard InChI | MCULE-4550170321-0.inchi |
| InChIKey | MCULE-4550170321-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-610956433 | 90 | As is | 25.479 g |
| P-489131923 | 97 | As is | in stock |
| P-900155105 | 95 | As is | in stock |
| P-606956151 | 97 | As is | 2.26 g |
| P-881634060 | 98 | As is | in stock |
| P-851256189 | 95 | As is | by synthesis |
| P-868625440 | 97 | As is | in stock |
| P-579478418 | 95 | As is | in stock |
| P-579620136 | 95 | As is | in stock |
| P-854716494 | 95 | As is | in stock |
| P-902988710 | 95 | As is | by synthesis |
| P-474027176 | 95 | As is | in stock |
| P-608275233 | 98 | As is | in stock |
| P-1263957945 | 90 | As is | in stock |
| P-579710257 | 98 | As is | in stock |
| P-906791933 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 679.849 |
| logP | 3.9474 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 19 |
| PSA | 179.56 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 186.7383 |
| Atoms | 102 |
| Rings | 5 |
| Heavy atoms | 49 |
| Hydrogen atoms | 53 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 6 |
| 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 |
