Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2248716564
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 | 60 USD | 95 | 8 working days | Get Quote |
| 5 mg | 60 USD | 95 | 8 working days | Get Quote |
| 10 mg | 60 USD | 95 | 8 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-2248716564.sdf |
| SMILES | MCULE-2248716564.smiles |
| Standard InChI | MCULE-2248716564.inchi |
| InChIKey | MCULE-2248716564.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561136 | 95 | As is | in stock |
| P-875720998 | N/A | As is | in stock |
| P-619606342 | 95 | As is | in stock |
| P-893454912 | 90 | As is | 1.956 g |
| P-907313284 | 95 | As is | by synthesis |
| P-851646851 | N/A | As is | by synthesis |
| P-494328903 | 95 | As is | by resynthesis (? - ? days) |
| P-481176055 | 95 | As is | 8.75 g |
| P-590857096 | 95 | As is | by synthesis |
| P-868620332 | 95 | As is | in stock |
| P-580403925 | 95 | As is | by resynthesis (? - ? days) |
| P-575331946 | 95 | As is | in stock |
| P-454282599 | 90 | As is | 80 mg |
| P-468070904 | 95 | As is | 1.951 g |
| P-25838841 | 90 | As is | 1.951 g |
| P-878162817 | 95 | As is | by synthesis |
| P-852427518 | N/A | As is | in stock |
| P-519757113 | 97 | As is | 52.2 g |
| P-35280245 | 97 | As is | 52.2 kg |
| P-895333628 | 95 | As is | by synthesis |
| P-502364288 | 90 | As is | in stock |
| P-855220008 | 90 | As is | in stock |
| P-886918426 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.334 |
| logP | 2.0085 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 69.29 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.7037 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
