Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5976447631-0
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 | 238 USD | 95 | 14 working days | Get Quote |
| 5 mg | 437 USD | 95 | 14 working days | Get Quote |
| 10 mg | 812 USD | 95 | 14 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.
-
1
MCULE-1986614628-0
- Component type: Main
-
1
MCULE-1176533515-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5976447631-0.sdf |
| SMILES | MCULE-5976447631-0.smiles |
| Standard InChI | MCULE-5976447631-0.inchi |
| InChIKey | MCULE-5976447631-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886852205 | 98 | As is | in stock |
| P-890193496 | 98 | As is | in stock |
| P-891654325 | N/A | As is | by synthesis |
| P-895114610 | N/A | As is | 10 mg |
| P-1274832908 | 95 | As is | by resynthesis (? - ? days) |
| P-889795098 | 95 | As is | by synthesis |
| P-905550564 | 98 | As is | by synthesis |
| P-873252097 | 97 | As is | 5 mg |
| P-854711490 | 95 | As is | in stock |
| P-904218752 | 95 | As is | unavailable |
| P-869110186 | 95 | As is | unavailable |
| P-888628547 | 95 | As is | unavailable |
| P-904235641 | 95 | As is | unavailable |
| P-1271617075 | 99 | As is | in stock |
| P-1266079161 | 98 | Main component | in stock |
| P-1265805628 | 98 | Main component | in stock |
| P-894675665 | 95 | Main component | by resynthesis (? - ? days) |
| P-851717629 | N/A | Main component | by synthesis |
| P-591091496 | 98 | Main component | by synthesis |
| P-863727455 | 95 | Main component | in stock |
| P-869110185 | 95 | Main component | unavailable |
| P-888628546 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 649.780 |
| logP | 6.7254 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 150.94 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 178.2128 |
| Atoms | 80 |
| Rings | 7 |
| Heavy atoms | 45 |
| Hydrogen atoms | 35 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| 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 |
