Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6541168467-0
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 11 USD | 98 | 22 working days | Get Quote |
| 10 mg | 11 USD | 98 | 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-6541168467-0.sdf |
| SMILES | MCULE-6541168467-0.smiles |
| Standard InChI | MCULE-6541168467-0.inchi |
| InChIKey | MCULE-6541168467-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867568531 | 98 | As is | in stock |
| P-875728863 | 97 | As is | in stock |
| P-597028107 | 98 | As is | unavailable |
| P-1275194693 | 98 | As is | in stock |
| P-1275143152 | 95 | As is | in stock |
| P-905485931 | 97 | As is | 100 g |
| P-1270360224 | 98 | As is | in stock |
| P-875896820 | 95 | As is | in stock |
| P-489154341 | 97 | As is | in stock |
| P-494339430 | 95 | As is | by resynthesis (? - ? days) |
| P-864101162 | 95 | As is | in stock |
| P-1275104823 | N/A | As is | by resynthesis (? - ? days) |
| P-893258250 | 95 | As is | by synthesis |
| P-492254319 | 95 | As is | in stock |
| P-577180484 | 90 | As is | by synthesis |
| P-436472823 | 95 | As is | in stock |
| P-34887122 | 90 | As is | in stock |
| P-851250891 | 95 | As is | by synthesis |
| P-861269183 | 95 | As is | in stock |
| P-868594069 | 98 | As is | in stock |
| P-905359200 | 98 | As is | 675 g |
| P-905316234 | 95 | As is | 379 g |
| P-889434540 | 98 | As is | 11.2158 kg |
| P-505548434 | 95 | As is | in stock |
| P-500155440 | 96 | As is | in stock |
| P-454392311 | 97 | As is | 100.018 g |
| P-454299988 | 97 | As is | 100.017 g |
| P-905476340 | 95 | As is | in stock |
| P-905454219 | 95 | As is | by synthesis |
| P-580481315 | 97 | As is | by synthesis |
| P-1272579391 | 95 | As is | 10 g |
| P-852441449 | 95 | As is | by synthesis |
| P-854727974 | 95 | As is | in stock |
| P-888904005 | N/A | As is | in stock |
| P-19635978 | 90 | As is | in stock |
| P-579707088 | N/A | As is | in stock |
| P-453965513 | 90 | As is | 16 mg |
| P-498708918 | 97 | As is | 69 g |
| P-502333790 | 90 | As is | in stock |
| P-22500139 | 90 | As is | 1000 mg |
| P-906907592 | 97 | As is | in stock |
| P-906888968 | 99 | As is | by synthesis |
| P-2212331 | 90 | As is | 18 mg |
| P-580055480 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.172 |
| logP | 1.3495 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 54.98 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.3732 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| 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 |
