MCULE-4435060828-0
- 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 | 97 | 8 working days | Get Quote |
5 mg | 8 USD | 97 | 8 working days | Get Quote |
10 mg | 8 USD | 97 | 8 working days | Get Quote |
- 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-4435060828-0.sdf |
SMILES | MCULE-4435060828-0.smiles |
Standard InChI | MCULE-4435060828-0.inchi |
InChIKey | MCULE-4435060828-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875845452 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869337010 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893548458 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 26.4 g |
P-436462060 | Alinda | Building Blocks | 95 | As is | in stock |
P-606842059 | AmBeed | In stock | N/A | As is | in stock |
P-865928177 | Angene | Building Blocks in stock | 97 | As is | 15.15 g |
P-864187160 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-605419167 | BLD pharm | In-stock building blocks | 97 | As is | 250 mg |
P-619932824 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-449240316 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
P-868636788 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-579799430 | Eximed | In-stock screening compounds | 90 | As is | 30.31 g |
P-580088843 | Eximed | Building Block Catalog | 95 | As is | 30.31 g |
P-888750846 | Eximed | In-stock screening compounds | 90 | As is | 5 g |
P-862066661 | FluoroChem | General BB | N/A | As is | in stock |
P-492245806 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502971887 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-488551643 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-617978090 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596595650 | Key Organics | Building Blocks | 90 | As is | 250 mg |
P-852432982 | Matrix Scientific | All | N/A | As is | in stock |
P-854750323 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-492279578 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 30.31 g |
P-34030417 | Otava | In-House Stock Library | 90 | As is | 30.31 g |
P-454372467 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-23808739 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856065755 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 30.31 g |
P-424876577 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873286808 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-596793453 | Synthonix | In-stock Building Blocks | 95 | As is | 27.65 g |
P-855347901 | Toronto Research | In stock | 90 | As is | in stock |
P-2758291 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 147 mg |
P-893994854 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 214.218 |
logP | -0.5336 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 86.71 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 58.9625 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |