MCULE-2872125197-0
- 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 | 39 USD | 95 | 9 working days | Get Quote |
5 mg | 66 USD | 98 | 16 working days | Get Quote |
10 mg | 100 USD | 98 | 16 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-2872125197-0.sdf |
SMILES | MCULE-2872125197-0.smiles |
Standard InChI | MCULE-2872125197-0.inchi |
InChIKey | MCULE-2872125197-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867646635 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875814225 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869257265 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610966068 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 9.747 g |
P-606862559 | AmBeed | In stock | N/A | As is | in stock |
P-596970089 | Angene | Building Blocks in stock | 97 | As is | 2.247 g |
P-864123332 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-590624244 | BLD pharm | In-stock building blocks | 97 | As is | 1.375 g |
P-893222795 | Biosynth | In Stock | 95 | As is | in stock |
P-861491607 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-608497579 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-563380376 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-854721661 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871072459 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608277200 | Molnova | Stock | 98 | As is | in stock |
P-594275663 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892298596 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888658226 | TargetMol | Screening Compounds - stock amount | 95 | As is | 43 mg |
P-611472779 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 437.237 |
logP | 4.9264 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 68.18 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 101.7544 |
Atoms | 42 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 15 |
Heteroatoms | 9 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |