Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5360559140
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 | 86 USD | N/A | 14 working days | Get Quote |
| 5 mg | 126 USD | 98 | 16 working days | Get Quote |
| 10 mg | 150 USD | 95 | 34 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-5360559140.sdf |
| SMILES | MCULE-5360559140.smiles |
| Standard InChI | MCULE-5360559140.inchi |
| InChIKey | MCULE-5360559140.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903143929 | N/A | As is | 50 mg |
| P-893569020 | 90 | As is | 5.07 g |
| P-535638570 | 85 | As is | 26 mg |
| P-860054654 | 98 | As is | by synthesis |
| P-591077885 | 99 | As is | by synthesis |
| P-578050707 | 98 | As is | in stock |
| P-887211244 | 95 | As is | by synthesis |
| P-863741139 | 95 | As is | in stock |
| P-878644735 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 596.532 |
| logP | -2.0283 |
| H-bond acceptors | 15 |
| H-bond donors | 8 |
| Rotatable bonds | 7 |
| PSA | 238.2 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 139.9996 |
| Atoms | 74 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 32 |
| Heteroatoms | 15 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
