Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6181229610
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 | 85 USD | 95 | 11 working days | Get Quote |
| 5 mg | 85 USD | 95 | 11 working days | Get Quote |
| 10 mg | 85 USD | 95 | 11 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.
-
MCULE-7016084931
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6181229610.sdf |
| SMILES | MCULE-6181229610.smiles |
| Standard InChI | MCULE-6181229610.inchi |
| InChIKey | MCULE-6181229610.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867632822 | 97 | As is | in stock |
| P-875797473 | N/A | As is | in stock |
| P-902998085 | 95 | As is | in stock |
| P-903151158 | 97 | As is | 5 g |
| P-610964820 | 90 | As is | 39.7 g |
| P-895169186 | N/A | As is | in stock |
| P-873295044 | 97 | As is | 9 g |
| P-889777005 | 95 | As is | in stock |
| P-901924280 | 97 | As is | 3.85 g |
| P-454662332 | 90 | As is | in stock |
| P-436476087 | 95 | As is | in stock |
| P-861526631 | 95 | As is | by synthesis |
| P-855978839 | 95 | As is | 10 g |
| P-852535083 | N/A | As is | in stock |
| P-864071461 | 95 | As is | by synthesis |
| P-855349622 | 90 | As is | in stock |
| P-588724066 | N/A | As is | by synthesis |
| P-886902578 | 95 | As is | in stock |
| P-872836359 | 95 | As a main component | in stock |
| P-875849615 | N/A | As a main component | in stock |
| P-869201937 | 95 | As a main component | in stock |
| P-903255956 | 97 | As a main component | 470 g |
| P-893583977 | 90 | As a main component | 468.75 g |
| P-868963312 | N/A | As a main component | in stock |
| P-888825538 | 95 | As a main component | 750 mg |
| P-889781076 | 95 | As a main component | in stock |
| P-868957131 | 95 | As a main component | 1000 mg |
| P-901438138 | 95 | As a main component | by synthesis |
| P-905264166 | 95 | As a main component | in stock |
| P-854875428 | 95 | As a main component | by synthesis |
| P-611602936 | 90 | As a main component | in stock |
| P-886910574 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 1.5975 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.0348 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
