Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4900118020
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 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-4428501347
- Component type: Main
-
MCULE-6942652763
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4900118020.sdf |
| SMILES | MCULE-4900118020.smiles |
| Standard InChI | MCULE-4900118020.inchi |
| InChIKey | MCULE-4900118020.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867565512 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875724889 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588245986 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881672922 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-489146332 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-868610645 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862017216 | FluoroChem | General BB | N/A | As is | in stock |
| P-502535454 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488550812 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-596602479 | Key Organics | Building Blocks | 95 | As is | 450.1 g |
| P-579624317 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31252353 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-856041559 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-613284984 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852504629 | Matrix Scientific | All | N/A | As is | in stock |
| P-584622577 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-12413907 | Otava | In-House Stock Library | 90 | As is | 1.868 g |
| P-617688278 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.868 g |
| P-454369086 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-519877609 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885536039 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502366895 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611453713 | Toronto Research | In stock | 90 | As is | in stock |
| P-881627323 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-890236088 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 121.179 |
| logP | 2.1914 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.5547 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 11 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
