MCULE-5834144380
- 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 | 17 USD | 95 | 35 working days | Get Quote |
5 mg | 17 USD | 95 | 35 working days | Get Quote |
10 mg | 17 USD | 95 | 35 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-5834144380.sdf |
SMILES | MCULE-5834144380.smiles |
Standard InChI | MCULE-5834144380.inchi |
InChIKey | MCULE-5834144380.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867649323 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875817445 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590393922 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-606942292 | AmBeed | In stock | N/A | As is | in stock |
P-489207320 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-579787543 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889445456 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-873439218 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-868594382 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580415376 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861986353 | FluoroChem | General BB | 95 | As is | in stock |
P-454411287 | Key Organics | Building Blocks | 95 | As is | 3.333 g |
P-18809482 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.333 g |
P-580502453 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852415181 | Matrix Scientific | All | N/A | As is | in stock |
P-596791137 | Synthonix | In-stock Building Blocks | 97 | As is | unavailable |
P-502394409 | TimTec | Building Block Collection | 90 | As is | in stock |
P-893647906 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 175.187 |
logP | 0.7596 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 50.94 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 47.4868 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 9 |
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 |