Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6232617822
Compound
Show structures
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 | 140 USD | 95 | 7 working days | Get Quote |
| 5 mg | 302 USD | 98 | 10 working days | Get Quote |
| 10 mg | 520 USD | 95 | 12 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-6232617822.sdf |
| SMILES | MCULE-6232617822.smiles |
| Standard InChI | MCULE-6232617822.inchi |
| InChIKey | MCULE-6232617822.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892880324 | 97 | As is | in stock |
| P-890182289 | 97 | As is | in stock |
| P-1264051730 | 98 | As is | in stock |
| P-893445818 | 90 | As is | 412 mg |
| P-1270285640 | 98 | As is | in stock |
| P-881620008 | N/A | As is | by synthesis |
| P-888827096 | 97 | As is | 10 mg |
| P-889784899 | 95 | As is | in stock |
| P-901527709 | 95 | As is | by synthesis |
| P-1273111564 | 95 | As is | 100 mg |
| P-895180935 | 95 | As is | in stock |
| P-584615045 | 95 | As is | in stock |
| P-869144386 | 95 | As is | 531 mg |
| P-888648058 | 95 | As is | 7 mg |
| P-1271672443 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 537.594 |
| logP | 4.6664 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 166.58 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 148.6516 |
| Atoms | 62 |
| Rings | 6 |
| Heavy atoms | 39 |
| Hydrogen atoms | 23 |
| Heteroatoms | 11 |
| 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 |
