Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5181103256
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 | 20 USD | 95 | 10 working days | Get Quote |
| 5 mg | 20 USD | 95 | 10 working days | Get Quote |
| 10 mg | 20 USD | 95 | 10 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5181103256.sdf |
| SMILES | MCULE-5181103256.smiles |
| Standard InChI | MCULE-5181103256.inchi |
| InChIKey | MCULE-5181103256.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867670129 | 95 | As is | in stock |
| P-875843875 | N/A | As is | in stock |
| P-613847732 | 95 | As is | in stock |
| P-851750912 | N/A | As is | by synthesis |
| P-864289840 | 95 | As is | by synthesis |
| P-591073402 | 96 | As is | by synthesis |
| P-492260064 | 95 | As is | in stock |
| P-3844977 | 90 | As is | 100 mg |
| P-577174602 | 90 | As is | by synthesis |
| P-449227523 | 90 | As is | 17 mg |
| P-436463978 | 95 | As is | in stock |
| P-868634778 | 95 | As is | in stock |
| P-502467348 | 95 | As is | by synthesis |
| P-502933567 | 90 | As is | in stock |
| P-492227799 | 95 | As is | in stock |
| P-855975074 | 95 | As is | 1000 mg |
| P-852434464 | N/A | As is | in stock |
| P-854922293 | 95 | As is | by synthesis |
| P-19807055 | 90 | As is | in stock |
| P-33984234 | 90 | As is | in stock |
| P-502387736 | 90 | As is | in stock |
| P-611439353 | 90 | As is | in stock |
| P-25595195 | 90 | As is | 32 mg |
| P-893671966 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.163 |
| logP | 0.46778 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 92.89 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.8674 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
