MCULE-5145397473
- 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 | 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-5145397473.sdf |
SMILES | MCULE-5145397473.smiles |
Standard InChI | MCULE-5145397473.inchi |
InChIKey | MCULE-5145397473.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867634919 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875799879 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869254083 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436446955 | Alinda | Building Blocks | 95 | As is | 10 g |
P-19918202 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851420757 | AmBeed | On request | N/A | As is | by synthesis |
P-590737184 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-504713278 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454754874 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-454693162 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619855365 | ChemDiv | Discovery Chemistry Library | 90 | As is | 11 mg |
P-861538618 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34802005 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580775113 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580764599 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-861930826 | FluoroChem | General BB | N/A | As is | in stock |
P-855970541 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852397310 | Matrix Scientific | All | N/A | As is | in stock |
P-854842164 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500392957 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-23881269 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491128006 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12824494 | Specs | Screening Compounds | 90 | As is | 74 mg |
P-33492465 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502341623 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855301929 | Toronto Research | In stock | 90 | As is | in stock |
P-596527135 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.499 g |
P-1230533 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.499 g |
P-893855056 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 281.101 |
logP | 3.4336 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 39.44 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.7745 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |