MCULE-2198104308
- 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 | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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.
Name | File |
---|---|
SDF | MCULE-2198104308.sdf |
SMILES | MCULE-2198104308.smiles |
Standard InChI | MCULE-2198104308.inchi |
InChIKey | MCULE-2198104308.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872826399 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875716340 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869285037 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893445964 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 55 g |
P-870663993 | AmBeed | In stock | N/A | As is | in stock |
P-888814487 | Angene | Building Blocks in stock | 97 | As is | 55 g |
P-889782888 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-3344683 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-868652793 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-34654480 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-854830841 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888876979 | PharmaBlock | In stock | N/A | As is | in stock |
P-24105525 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22942955 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-35121290 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 43 mg |
P-886909057 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 229.231 |
logP | 4.2187 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 55.05 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 66.746 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |