MCULE-4331012743
- 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 | 19 USD | 97 | 20 working days | Get Quote |
5 mg | 19 USD | 97 | 20 working days | Get Quote |
10 mg | 19 USD | 97 | 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-4331012743.sdf |
SMILES | MCULE-4331012743.smiles |
Standard InChI | MCULE-4331012743.inchi |
InChIKey | MCULE-4331012743.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867553927 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875712468 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-853425262 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-875893427 | Allbio Pharm | In stock | N/A | As is | in stock |
P-851558572 | AmBeed | On request | N/A | As is | by synthesis |
P-489230539 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-597007056 | Angene | Building Blocks in stock | 97 | As is | 100 g |
P-901335475 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590948151 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-868612795 | Combi-Blocks | Building Block in stock | 99 | As is | in stock |
P-580271858 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889383467 | FluoroChem | General BB | 95 | As is | in stock |
P-596578693 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-856045186 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-31197540 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-872722074 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854929125 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500397128 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis |
P-18970297 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502366440 | TimTec | Building Block Collection | 90 | As is | in stock |
P-607409 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 29 mg |
P-615416463 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 282.289 |
logP | 3.1047 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 63.6 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 78.9785 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |