Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4029141420-0
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 | 45 USD | 95 | 37 working days | Get Quote |
| 5 mg | 45 USD | 95 | 37 working days | Get Quote |
| 10 mg | 45 USD | 95 | 37 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-2936298766-0
- Component type: Main
-
MCULE-7679040272-0
- Component type: Main
-
MCULE-2556988345-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4029141420-0.sdf |
| SMILES | MCULE-4029141420-0.smiles |
| Standard InChI | MCULE-4029141420-0.inchi |
| InChIKey | MCULE-4029141420-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572890 | 95 | As is | in stock |
| P-875733184 | N/A | As is | in stock |
| P-590365229 | 95 | As is | in stock |
| P-903062355 | 97 | As is | 25 g |
| P-873290753 | 97 | As is | 25 g |
| P-872696478 | 97 | As is | in stock |
| P-901452204 | 95 | As is | by synthesis |
| P-454691258 | 90 | As is | in stock |
| P-851279092 | 95 | As is | by synthesis |
| P-580756951 | 90 | As is | by synthesis |
| P-580285075 | N/A | As is | by resynthesis (? - ? days) |
| P-575335800 | 95 | As is | in stock |
| P-891668698 | 95 | As is | by synthesis |
| P-852396685 | N/A | As is | in stock |
| P-895274923 | 95 | As is | by synthesis |
| P-500390482 | 97 | As is | by synthesis |
| P-23890035 | 90 | As is | in stock |
| P-23340820 | 90 | As is | in stock |
| P-502328584 | 90 | As is | in stock |
| P-855223803 | 90 | As is | in stock |
| P-886899364 | 95 | As is | in stock |
| P-867637802 | 95 | As a main component | in stock |
| P-875802792 | N/A | As a main component | in stock |
| P-893513614 | 90 | As a main component | 113.75 g |
| P-901469538 | 95 | As a main component | by synthesis |
| P-619277060 | 90 | As a main component | 1 mg |
| P-895703138 | 95 | As a main component | by synthesis |
| P-855235138 | 90 | As a main component | in stock |
| P-893678142 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 255.154 |
| logP | 2.121 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 69.7497 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
