MCULE-1498747483
- 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 | 5 USD | 98 | 9 working days | Get Quote |
5 mg | 5 USD | 98 | 9 working days | Get Quote |
10 mg | 5 USD | 98 | 9 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.
-
1
MCULE-6044533117
- Component type: Main
-
1
MCULE-5932450224
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1498747483.sdf |
SMILES | MCULE-1498747483.smiles |
Standard InChI | MCULE-1498747483.inchi |
InChIKey | MCULE-1498747483.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875748797 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-489220053 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-890239515 | BLD pharm | In-stock building blocks | 98 | As is | 75 g |
P-868563126 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-875779760 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-489229247 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-675187362 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | Main component | 90 mg |
P-605423529 | BLD pharm | In-stock building blocks | 90 | Main component | 3.195 kg |
P-617430726 | BLD pharm | In-stock building blocks | 98 | Main component | 1.21 kg |
P-578049798 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
P-868595030 | Combi-Blocks | Building Block in stock | 85 | Main component | in stock |
P-579616996 | LabSeeker, Inc | Stock Collection | 90 | Main component | in stock |
P-852505354 | Matrix Scientific | All | N/A | Main component | in stock |
P-852604288 | Matrix Scientific | All | N/A | Main component | in stock |
P-854691017 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-870132516 | R&D Scientific | All | 97 | Main component | in stock |
P-875777070 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-489230099 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-674396722 | BLD pharm | Non-stock building blocks | 97 | Main component as a main component | by synthesis |
P-590600842 | BLD pharm | In-stock building blocks | 97 | Main component as a main component | 1.545 kg |
P-868599101 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
P-856089201 | LabSeeker, Inc | On demand Catalog | 95 | Main component as a main component | by resynthesis (? - ? days) |
P-852603661 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
P-854690958 | MedChemExpress | Natural Products In stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 320.551 |
logP | 4.7738 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 15 |
PSA | 40.13 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 87.9955 |
Atoms | 54 |
Rings | 0 |
Heavy atoms | 21 |
Hydrogen atoms | 33 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |