MCULE-7747392027
- 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 | 95 USD | 97 | 22 working days | Get Quote |
5 mg | 95 USD | 97 | 22 working days | Get Quote |
10 mg | 95 USD | 97 | 22 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-5162647275
- Component type: Main
-
1
MCULE-2361956978
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7747392027.sdf |
SMILES | MCULE-7747392027.smiles |
Standard InChI | MCULE-7747392027.inchi |
InChIKey | MCULE-7747392027.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-866719725 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-869030316 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-867655784 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
P-875823959 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-869318040 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-893444287 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 7.9 g |
P-606871683 | AmBeed | In stock | N/A | Main component | in stock |
P-865925146 | Angene | Building Blocks in stock | 97 | Main component | 5.9 g |
P-864193732 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-590633305 | BLD pharm | In-stock building blocks | 97 | Main component | 2.47 g |
P-861430698 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-862145713 | FluoroChem | General BB | 97 | Main component | in stock |
P-855924032 | Key Organics | Building Blocks | 97 | Main component | 100 mg |
P-854807080 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-888894492 | PharmaBlock | In stock | N/A | Main component | in stock |
P-596791093 | Synthonix | In-stock Building Blocks | 97 | Main component | 7 g |
P-893992736 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 233.165 |
logP | 3.3447 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 51.8 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 51.1644 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 7 |
Heteroatoms | 7 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |