MCULE-4363809606-0
- 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 | 7 USD | 97 | 20 working days | Get Quote |
5 mg | 7 USD | 97 | 20 working days | Get Quote |
10 mg | 7 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-4363809606-0.sdf |
SMILES | MCULE-4363809606-0.smiles |
Standard InChI | MCULE-4363809606-0.inchi |
InChIKey | MCULE-4363809606-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867603246 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875761233 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-887313614 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-489171219 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596959830 | Angene | Building Blocks in stock | 97 | As is | 751 g |
P-895922285 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864196881 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-448865999 | ChemDiv | Discovery Chemistry Library | 90 | As is | 61 mg |
P-861276913 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-868583898 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580430711 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862110512 | FluoroChem | General BB | 98 | As is | in stock |
P-855928042 | Key Organics | Building Blocks | 97 | As is | 25 g |
P-31256608 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856044350 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-613282492 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-860795216 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852510503 | Matrix Scientific | All | N/A | As is | in stock |
P-428066296 | Maybridge | Screening Collection | 90 | As is | 409 g |
P-854754812 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-873287102 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-896073476 | Specs | Repurposed Compounds | N/A | As is | 134.01 g |
P-502367698 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611363835 | Toronto Research | In stock | 90 | As is | in stock |
P-615414158 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 296.901 |
logP | 3.3486 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 66.05 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 52.687 |
Atoms | 15 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 3 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |