MCULE-2503120894
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 105 USD | 90 | 9 working days | Get Quote |
10 mg | 116 USD | 90 | 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.
-
1
MCULE-2783988823
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2503120894.sdf |
SMILES | MCULE-2503120894.smiles |
Standard InChI | MCULE-2503120894.inchi |
InChIKey | MCULE-2503120894.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-888666150 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-617763967 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
P-869244782 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-610891052 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component | by synthesis |
P-864228244 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-881039596 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | Main component | 5 mg |
P-862053405 | FluoroChem | General BB | N/A | Main component | in stock |
P-505501886 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-855984016 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
P-579680843 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-856028557 | LaboTest | Screening Collection | 90 | Main component | 500 mg |
P-500377655 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
P-611402939 | Toronto Research | In stock | 90 | Main component | in stock |
P-575294786 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 364.752 |
logP | 4.7012 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 70.34 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 91.7005 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 1 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |