MCULE-8757876813
- 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 | 20 USD | 95 | 10 working days | Get Quote |
5 mg | 20 USD | 95 | 10 working days | Get Quote |
10 mg | 20 USD | 95 | 10 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.
-
MCULE-4438364957
- Component type: Main
-
MCULE-3947103730
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8757876813.sdf |
SMILES | MCULE-8757876813.smiles |
Standard InChI | MCULE-8757876813.inchi |
InChIKey | MCULE-8757876813.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867627296 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875790154 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613855611 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610970517 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 149.29 g |
P-875896370 | Allbio Pharm | In stock | N/A | As is | in stock |
P-851947314 | AmBeed | In stock | N/A | As is | in stock |
P-865918976 | Angene | Building Blocks in stock | 95 | As is | 5 g |
P-585299197 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864161852 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619604563 | BLD pharm | In-stock building blocks | 95 | As is | 3.46 g |
P-901467013 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-492269743 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-896633670 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868619528 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580275856 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862018135 | FluoroChem | General BB | N/A | As is | in stock |
P-502473957 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454376595 | Key Organics | Building Blocks | 95 | As is | 41.679 g |
P-18680793 | Key Organics | Screening Compounds and Fragments | 95 | As is | 41.679 g |
P-852412006 | Matrix Scientific | All | N/A | As is | in stock |
P-519755239 | Maybridge | Maybridge Building Blocks | 97 | As is | 89.9 g |
P-35280088 | Maybridge | Screening Collection | 97 | As is | 89.9 kg |
P-895221386 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888846031 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-500388785 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-873283365 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-502403673 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611381845 | Toronto Research | In stock | 90 | As is | in stock |
P-868512610 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-526219689 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-675126170 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-617779996 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 968 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 228.242 |
logP | 2.9638 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 64.3803 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
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 |