MCULE-6044533117
- 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 | 8 working days | Get Quote |
5 mg | 5 USD | 98 | 8 working days | Get Quote |
10 mg | 5 USD | 98 | 8 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.
-
MCULE-1498747483
- Component type: Main
-
MCULE-4937469311
- Component type: Main
-
MCULE-1096187368
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6044533117.sdf |
SMILES | MCULE-6044533117.smiles |
Standard InChI | MCULE-6044533117.inchi |
InChIKey | MCULE-6044533117.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875779760 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-489229247 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-675187362 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 90 mg |
P-605423529 | BLD pharm | In-stock building blocks | 90 | As is | 6.175 kg |
P-617430726 | BLD pharm | In-stock building blocks | 98 | As is | 3.13 kg |
P-578049798 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-868595030 | Combi-Blocks | Building Block in stock | 85 | As is | in stock |
P-579616996 | LabSeeker, Inc | Stock Collection | 90 | As is | in stock |
P-852505354 | Matrix Scientific | All | N/A | As is | in stock |
P-852604288 | Matrix Scientific | All | N/A | As is | in stock |
P-854691017 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-895498464 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-584623248 | MedKoo | In stock compounds | 95 | As is | in stock |
P-870132516 | R&D Scientific | All | 97 | As is | in stock |
P-875748797 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-875777070 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-489230099 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-489220053 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-674396722 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-590600842 | BLD pharm | In-stock building blocks | 97 | As a main component | 360 g |
P-890239515 | BLD pharm | In-stock building blocks | 98 | As a main component | 75 g |
P-893625143 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-868563126 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-868599101 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-856089201 | LabSeeker, Inc | On demand Catalog | 95 | As a main component | by resynthesis (? - ? days) |
P-852603661 | Matrix Scientific | All | N/A | As a main component | in stock |
P-854690958 | MedChemExpress | Natural Products In stock | 95 | As a main component | in stock |
P-895524019 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 282.461 |
logP | 6.1085 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 15 |
PSA | 37.3 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 89.9378 |
Atoms | 54 |
Rings | 0 |
Heavy atoms | 20 |
Hydrogen atoms | 34 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |