MCULE-9871996658
- 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 | 24 USD | 95 | 20 working days | Get Quote |
5 mg | 24 USD | 95 | 20 working days | Get Quote |
10 mg | 24 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.
-
1
MCULE-7939651207
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9871996658.sdf |
SMILES | MCULE-9871996658.smiles |
Standard InChI | MCULE-9871996658.inchi |
InChIKey | MCULE-9871996658.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886671633 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-869270291 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851423308 | AmBeed | On request | N/A | As is | by synthesis |
P-889819979 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611031954 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-854868594 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-675099260 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611377029 | Toronto Research | In stock | 90 | As is | in stock |
P-617787131 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 201 mg |
P-892913495 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
P-890178738 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-894611916 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-893581451 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 251.775 g |
P-851486044 | AmBeed | On request | N/A | Main component | by synthesis |
P-888825411 | Angene | Building Blocks in stock | 95 | Main component | 50 g |
P-895940284 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
P-889777649 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-611022711 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-889030519 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
P-889396713 | FluoroChem | General BB | 95 | Main component | in stock |
P-868743399 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
P-894004839 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 250.118 |
logP | 3.0972 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 49.33 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.3775 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |