MCULE-5557234133
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 36 USD | 90 | 21 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-5557234133.sdf |
SMILES | MCULE-5557234133.smiles |
Standard InChI | MCULE-5557234133.inchi |
InChIKey | MCULE-5557234133.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867316298 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
P-889953934 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869230236 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-578621880 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851885633 | AmBeed | On request | N/A | As is | by synthesis |
P-869991899 | Asinex | General screening catalog | 90 | As is | 562 mg |
P-889813715 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591149102 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-619929897 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861301777 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502700455 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492242332 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-35218535 | Maybridge | Screening Collection | 90 | As is | 12.105 kg |
P-854791129 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492278124 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 5 g |
P-12472574 | Otava | In-House Stock Library | 90 | As is | 5 g |
P-19024749 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873072349 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611586185 | Toronto Research | In stock | 90 | As is | in stock |
P-893777682 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 188.225 |
logP | 2.22858 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 52.89 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 55.2427 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |