Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4867927782
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 53 USD | 90 | 22 working days | Get Quote |
| 10 mg | 69 USD | 90 | 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-4867927782.sdf |
| SMILES | MCULE-4867927782.smiles |
| Standard InChI | MCULE-4867927782.inchi |
| InChIKey | MCULE-4867927782.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886319065 | 90 | As is | by synthesis |
| P-1265446162 | 90 | As is | by synthesis |
| P-4510993 | 90 | As is | 100 mg |
| P-4174202 | 90 | As is | 22 mg |
| P-14171421 | 90 | As is | 17 mg |
| P-13146300 | 90 | As is | 74 mg |
| P-596803376 | 95 | As is | by synthesis |
| P-18852624 | 90 | As is | in stock |
| P-628842 | 90 | As is | 321 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 373.428 |
| logP | 3.4476 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 90.71 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 99.8627 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
