Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5643957233
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 | 97 | 8 working days | Get Quote |
| 5 mg | 13 USD | 97 | 8 working days | Get Quote |
| 10 mg | 13 USD | 97 | 8 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.
-
1
MCULE-8359543819
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5643957233.sdf |
| SMILES | MCULE-5643957233.smiles |
| Standard InChI | MCULE-5643957233.inchi |
| InChIKey | MCULE-5643957233.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893363308 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-489211849 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-591052399 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-852445108 | Matrix Scientific | All | N/A | As is | in stock |
| P-864065969 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-610956527 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 299.882 g |
| P-585289923 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-580702172 | BLD pharm | In-stock building blocks | 97 | Main component | 55.5 g |
| P-851243072 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868582162 | Combi-Blocks | Building Block in stock | 96 | Main component | in stock |
| P-861972303 | FluoroChem | General BB | 95 | Main component | in stock |
| P-615653362 | LabNetwork | In stock | 95 | Main component | in stock |
| P-852494745 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854726140 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
| P-888851990 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-873286454 | Shanghai iChemical | In stock | N/A | Main component | in stock |
| P-613805191 | Spirochem | All | 95 | Main component | in stock |
| P-613807006 | Spirochem | All | 95 | Main component | in stock |
| P-893461742 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 63.972 g |
| P-895911589 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889734135 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-889433810 | FluoroChem | General BB | 97 | Main component as a main component | in stock |
| P-895242338 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-895254952 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 306.312 |
| logP | 0.3748 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 139.39 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 75.657 |
| Atoms | 43 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
