MCULE-4003430313
- 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 | 47 USD | 98 | 15 working days | Get Quote |
5 mg | 47 USD | 98 | 15 working days | Get Quote |
10 mg | 47 USD | 98 | 15 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-4003430313.sdf |
SMILES | MCULE-4003430313.smiles |
Standard InChI | MCULE-4003430313.inchi |
InChIKey | MCULE-4003430313.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886607750 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875793669 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869252386 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893615744 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 16.5 g |
P-878260358 | AmBeed | In stock | N/A | As is | in stock |
P-881102463 | Angene | Building Blocks in stock | 98 | As is | 15 g |
P-895942012 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889780755 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-878234143 | BLD pharm | In-stock building blocks | 98 | As is | 5.479 g |
P-861552314 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889315785 | FluoroChem | General BB | N/A | As is | in stock |
P-502533651 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-874449226 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-631210562 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-893999721 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 317.789 |
logP | 3.6216 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 83.06 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 80.2373 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 16 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |