MCULE-1783873336
- 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 | 7 USD | 98 | 16 working days | Get Quote |
5 mg | 22 USD | 98 | 16 working days | Get Quote |
10 mg | 40 USD | 98 | 16 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-1783873336.sdf |
SMILES | MCULE-1783873336.smiles |
Standard InChI | MCULE-1783873336.inchi |
InChIKey | MCULE-1783873336.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867634441 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875799462 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590361863 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606880759 | AmBeed | In stock | N/A | As is | in stock |
P-596967298 | Angene | Building Blocks in stock | 98 | As is | 320 mg |
P-872722629 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889550421 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580697948 | BLD pharm | In-stock building blocks | 98 | As is | 320 mg |
P-860799269 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861518469 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-608495822 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-580439964 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-868078793 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-563426212 | Key Organics | Building Blocks | 95 | As is | 10 mg |
P-854714077 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871066458 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888170923 | Molnova | On demand | 98 | As is | by synthesis |
P-888664867 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869175098 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-855344817 | Toronto Research | In stock | 90 | As is | in stock |
P-480967662 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 520.028 |
logP | 6.09566 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 182.38 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 138.2942 |
Atoms | 53 |
Rings | 4 |
Heavy atoms | 35 |
Hydrogen atoms | 18 |
Heteroatoms | 10 |
N/O atoms | 7 |
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 |