Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4650444168
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 | 8 USD | 98 | 20 working days | Get Quote |
| 5 mg | 8 USD | 98 | 20 working days | Get Quote |
| 10 mg | 8 USD | 98 | 20 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-4650444168.sdf |
| SMILES | MCULE-4650444168.smiles |
| Standard InChI | MCULE-4650444168.inchi |
| InChIKey | MCULE-4650444168.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867559826 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875720071 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606907123 | AmBeed | In stock | N/A | As is | in stock |
| P-596944919 | Angene | Building Blocks in stock | 98 | As is | 936 g |
| P-864092144 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580705608 | BLD pharm | In-stock building blocks | 98 | As is | 41 g |
| P-851241231 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868647591 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-580407499 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889113041 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
| P-505534445 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502569528 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-524180597 | Key Organics | Building Blocks | 98 | As is | 5 g |
| P-855995531 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-579627922 | LabSeeker, Inc | Stock Collection | 97 | As is | in stock |
| P-580462377 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852388763 | Matrix Scientific | All | N/A | As is | in stock |
| P-854742969 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-12627167 | Specs | Screening Compounds | 90 | As is | 936 mg |
| P-596763300 | Synthonix | In-stock Building Blocks | 98 | As is | 1.158 kg |
| P-611366422 | Toronto Research | In stock | 90 | As is | in stock |
| P-615397360 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 280.901 |
| logP | 2.3048 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.5963 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
