Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4057228498
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-4057228498.sdf |
| SMILES | MCULE-4057228498.smiles |
| Standard InChI | MCULE-4057228498.inchi |
| InChIKey | MCULE-4057228498.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582558 | 98 | As is | in stock |
| P-875741401 | N/A | As is | in stock |
| P-869290949 | 95 | As is | in stock |
| P-903072223 | 98 | As is | 75 g |
| P-893555179 | 90 | As is | 181.958 g |
| P-851953439 | N/A | As is | in stock |
| P-489146830 | 97 | As is | in stock |
| P-596983800 | 98 | As is | 50 g |
| P-494346254 | 95 | As is | 6 g |
| P-905440251 | 98 | As is | by synthesis |
| P-901554324 | 95 | As is | by synthesis |
| P-870584395 | 98 | As is | in stock |
| P-905359162 | 98 | As is | 5 g |
| P-889434438 | 98 | As is | 57.358 g |
| P-890204423 | 90 | As is | in stock |
| P-579484020 | 90 | As is | 20.5 g |
| P-579475296 | 95 | As is | 100 mg |
| P-854740450 | 95 | As is | in stock |
| P-500375586 | 98 | As is | by synthesis |
| P-889871134 | 95 | As is | by synthesis |
| P-519901115 | 90 | As is | in stock |
| P-596760971 | 95 | As is | 201.73 g |
| P-23116483 | 90 | As is | in stock |
| P-502371085 | 90 | As is | in stock |
| P-906821051 | 98 | As is | by synthesis |
| P-611434143 | 90 | As is | in stock |
| P-667020549 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 182.645 |
| logP | 2.8066 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.2055 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
