MCULE-8066203646
- 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 | 13 USD | 95 | 11 working days | Get Quote |
5 mg | 13 USD | 95 | 11 working days | Get Quote |
10 mg | 13 USD | 95 | 11 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-8066203646.sdf |
SMILES | MCULE-8066203646.smiles |
Standard InChI | MCULE-8066203646.inchi |
InChIKey | MCULE-8066203646.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875708635 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590367195 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851558701 | AmBeed | On request | N/A | As is | by synthesis |
P-596982058 | Angene | Building Blocks in stock | 95 | As is | 14 kg |
P-889588685 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619593073 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-901525160 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-4385746 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-4354114 | ChemDiv | Discovery Chemistry Library | 90 | As is | 19 mg |
P-868602259 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580444546 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889377302 | FluoroChem | General BB | N/A | As is | in stock |
P-855983471 | Key Organics | Building Blocks | 95 | As is | 100 g |
P-31158593 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
P-854917918 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-621860474 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-885542739 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-615408431 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 237.251 |
logP | 1.6944 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 64.63 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 63.5527 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |