MCULE-8772121686
- 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 | 38 USD | 90 | 19 working days | Get Quote |
5 mg | 55 USD | 90 | 19 working days | Get Quote |
10 mg | 69 USD | 90 | 19 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-8970529007
- Component type: Main
-
MCULE-2372861881
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8772121686.sdf |
SMILES | MCULE-8772121686.smiles |
Standard InChI | MCULE-8772121686.inchi |
InChIKey | MCULE-8772121686.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867566863 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875727183 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894671264 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851904548 | AmBeed | On request | N/A | As is | by synthesis |
P-591048921 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-901451860 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-492267259 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-861364722 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-855946590 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-35200053 | Maybridge | Screening Collection | 90 | As is | 5 g |
P-854843249 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424834596 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23147745 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-611605796 | Toronto Research | In stock | 90 | As is | in stock |
P-35092994 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 71 mg |
P-893670812 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-886699739 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-890000788 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869297040 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851433936 | AmBeed | On request | N/A | As a main component | by synthesis |
P-889811470 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-611026270 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-901521061 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
P-28043684 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 50 mg |
P-861384543 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-895555371 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855224485 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893832754 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 220.268 |
logP | 4.0652 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 38.91 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 71.5834 |
Atoms | 29 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |