MCULE-4310723477
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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-4310723477.sdf |
SMILES | MCULE-4310723477.smiles |
Standard InChI | MCULE-4310723477.inchi |
InChIKey | MCULE-4310723477.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867693448 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875873348 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869223831 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893454318 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 150 mg |
P-891666875 | AmBeed | On request | N/A | As is | by synthesis |
P-895110046 | Angene | Building Blocks in stock | N/A | As is | 50 mg |
P-889521023 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-427963359 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
P-887191108 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-13042141 | InterBioScreen | Screening Compounds | 92 | As is | 132 mg |
P-873243365 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-31223312 | LaboTest | Screening Collection | 90 | As is | 100 mg |
P-854721333 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-13282699 | Pharmeks LLC | Synthetic compounds | 92 | As is | 132 mg |
P-18855677 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-869119868 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892289299 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888634732 | TargetMol | Screening Compounds - stock amount | 95 | As is | 2.562 g |
P-2511735 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 70 mg |
P-893665709 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 296.320 |
logP | 3.4719 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 78.37 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 84.9637 |
Atoms | 38 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |