MCULE-1217070458
- 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 | 37 USD | 98 | 22 working days | Get Quote |
5 mg | 42 USD | 95 | 9 working days | Get Quote |
10 mg | 66 USD | 95 | 9 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-1217070458.sdf |
SMILES | MCULE-1217070458.smiles |
Standard InChI | MCULE-1217070458.inchi |
InChIKey | MCULE-1217070458.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867678014 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875855442 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869248225 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893611903 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3 g |
P-867707913 | AmBeed | In stock | N/A | As is | in stock |
P-888826800 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
P-872725188 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-895935872 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889584637 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-862399102 | BLD pharm | In-stock building blocks | 98 | As is | 30 mg |
P-873247557 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854718759 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584620195 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888173472 | Molnova | On demand | 98 | As is | by synthesis |
P-869119468 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892289193 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888634387 | TargetMol | Screening Compounds - stock amount | 95 | As is | 3.005 g |
P-855066217 | Toronto Research | In stock | 90 | As is | in stock |
P-868529029 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 434.444 |
logP | 3.1856 |
H-bond acceptors | 9 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 87.94 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 116.512 |
Atoms | 54 |
Rings | 6 |
Heavy atoms | 32 |
Hydrogen atoms | 22 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |