MCULE-4123626069
- 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 | 14 USD | 98 | 20 working days | Get Quote |
5 mg | 14 USD | 98 | 20 working days | Get Quote |
10 mg | 14 USD | 98 | 20 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-4123626069.sdf |
SMILES | MCULE-4123626069.smiles |
Standard InChI | MCULE-4123626069.inchi |
InChIKey | MCULE-4123626069.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875739701 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590413283 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893599982 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 350 g |
P-851475447 | AmBeed | On request | N/A | As is | by synthesis |
P-596988390 | Angene | Building Blocks in stock | 98 | As is | 300 g |
P-494452989 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864197527 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590815970 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-619840489 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-868614251 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-34586381 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580770141 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580781139 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-862086876 | FluoroChem | General BB | N/A | As is | in stock |
P-605337152 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-454382095 | Key Organics | Building Blocks | 95 | As is | 29.647 g |
P-18792318 | Key Organics | Screening Compounds and Fragments | 95 | As is | 29.647 g |
P-580500929 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852548556 | Matrix Scientific | All | N/A | As is | in stock |
P-854797475 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-589000593 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-23883264 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491134687 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33468765 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502346372 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611366126 | Toronto Research | In stock | 90 | As is | in stock |
P-1236830 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 127 mg |
P-615405039 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 213.206 |
logP | 3.48968 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 33.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.631 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 8 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |