MCULE-4397440431
- 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 | 7 USD | 95 | 20 working days | Get Quote |
5 mg | 7 USD | 95 | 20 working days | Get Quote |
10 mg | 7 USD | 95 | 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.
Name | File |
---|---|
SDF | MCULE-4397440431.sdf |
SMILES | MCULE-4397440431.smiles |
Standard InChI | MCULE-4397440431.inchi |
InChIKey | MCULE-4397440431.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875798743 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590410572 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893550399 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 116.45 g |
P-606890688 | AmBeed | In stock | N/A | As is | in stock |
P-489219709 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596967186 | Angene | Building Blocks in stock | 95 | As is | 50 g |
P-895932551 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-870024060 | Asinex | General screening catalog | 90 | As is | 15 mg |
P-864096996 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-889746757 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 4 g |
P-580721044 | BLD pharm | In-stock building blocks | 95 | As is | 1.1 g |
P-851284475 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868618572 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580300738 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862036506 | FluoroChem | General BB | 95 | As is | in stock |
P-524197506 | Key Organics | Building Blocks | 95 | As is | 5 g |
P-855396435 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-491071106 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12299007 | Specs | Screening Compounds | 90 | As is | 191 mg |
P-596768316 | Synthonix | In-stock Building Blocks | 95 | As is | 153.25 g |
P-888371156 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611594011 | Toronto Research | In stock | 90 | As is | in stock |
P-893982446 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 201.221 |
logP | 2.4115 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 39.19 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 57.8295 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |