MCULE-4734411374
- 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 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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-4734411374.sdf |
SMILES | MCULE-4734411374.smiles |
Standard InChI | MCULE-4734411374.inchi |
InChIKey | MCULE-4734411374.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867568761 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875728557 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590393201 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-580240133 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606865855 | AmBeed | In stock | N/A | As is | in stock |
P-489185094 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596948447 | Angene | Building Blocks in stock | 98 | As is | 25 g |
P-589658213 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864118943 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-878240323 | CHESS Chem | All products | 98 | As is | in stock |
P-851280696 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868554420 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-861972209 | FluoroChem | General BB | 98 | As is | in stock |
P-18815994 | Key Organics | Screening Compounds and Fragments | 90 | As is | 15.257 g |
P-580486673 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
P-852387552 | Matrix Scientific | All | N/A | As is | in stock |
P-428002968 | Maybridge | Screening Collection | 90 | As is | 3.865 kg |
P-854729204 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-640769292 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-888861076 | PharmaBlock | In stock | N/A | As is | in stock |
P-500407811 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885541823 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-613814722 | Spirochem | All | 95 | As is | in stock |
P-498720308 | Synthonix | In-stock Building Blocks | 97 | As is | 363 g |
P-502364198 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611411872 | Toronto Research | In stock | 90 | As is | in stock |
P-575300042 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 185.263 |
logP | 2.3453 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 29.54 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 56.593 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 19 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |