MCULE-1579356100
- 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 | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-1579356100.sdf |
SMILES | MCULE-1579356100.smiles |
Standard InChI | MCULE-1579356100.inchi |
InChIKey | MCULE-1579356100.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867641233 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875807349 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615719659 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19958450 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436446563 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851801645 | AmBeed | On request | N/A | As is | by synthesis |
P-591067823 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492247711 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454692393 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868637156 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34487682 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-862037975 | FluoroChem | General BB | 95 | As is | in stock |
P-596590996 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852397073 | Matrix Scientific | All | N/A | As is | in stock |
P-854924878 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23912758 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885526012 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22869818 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888512672 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611428781 | Toronto Research | In stock | 90 | As is | in stock |
P-1365266 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.676 g |
P-3236142 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.676 g |
P-893678076 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 298.721 |
logP | 3.9568 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 63.08 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 81.9093 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |