MCULE-3598405830
- 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 | 90 | 8 working days | Get Quote |
5 mg | 5 USD | 90 | 8 working days | Get Quote |
10 mg | 5 USD | 90 | 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.
-
1
MCULE-5695391344
- Component type: Main
-
1
MCULE-6872461833
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3598405830.sdf |
SMILES | MCULE-3598405830.smiles |
Standard InChI | MCULE-3598405830.inchi |
InChIKey | MCULE-3598405830.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590602451 | BLD pharm | In-stock building blocks | 99 | As is | 100 g |
P-868603580 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862094125 | FluoroChem | General BB | 95 | As is | in stock |
P-870132471 | R&D Scientific | All | 97 | As is | in stock |
P-580730854 | BLD pharm | In-stock building blocks | 90 | Main component | 4.425 kg |
P-868609302 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
P-896629850 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-854694085 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-584620853 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-619672599 | Molnova | Stock | 98 | Main component | in stock |
P-888855446 | PharmaBlock | In stock | N/A | Main component | in stock |
P-617403604 | Selleckchem | Product Catalog | N/A | Main component | in stock |
P-489207408 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-895912996 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
P-580700810 | BLD pharm | In-stock building blocks | 90 | Main component as a main component | 1.6 kg |
P-605423631 | BLD pharm | In-stock building blocks | 95 | Main component as a main component | 3.65 kg |
P-870587220 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-861472246 | Combi-Blocks | Building Block on demand | 97 | Main component as a main component | by synthesis |
P-899988175 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
P-895184068 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
P-869092855 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
P-895227774 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
P-608280328 | Molnova | Stock | 98 | Main component as a main component | in stock |
P-617403399 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 96.037 |
logP | -1.8829 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 60.36 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 17.5263 |
Atoms | 12 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 5 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |