MCULE-8220245547
- 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 | 12 USD | 98 | 20 working days | Get Quote |
5 mg | 12 USD | 98 | 20 working days | Get Quote |
10 mg | 12 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-8220245547.sdf |
SMILES | MCULE-8220245547.smiles |
Standard InChI | MCULE-8220245547.inchi |
InChIKey | MCULE-8220245547.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867566727 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875726671 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590359001 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610965397 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 577.42 g |
P-606849194 | AmBeed | In stock | N/A | As is | in stock |
P-489200351 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596947518 | Angene | Building Blocks in stock | 98 | As is | 200 g |
P-895922852 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864092025 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-580712705 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
P-901418937 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-492252205 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4143531 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-851299831 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868581905 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862028070 | FluoroChem | General BB | N/A | As is | in stock |
P-505545690 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-524188946 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
P-580498612 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852607684 | Matrix Scientific | All | N/A | As is | in stock |
P-854731675 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-851381529 | Synthonix | In-stock Building Blocks | 95 | As is | 19.5 g |
P-611566981 | Toronto Research | In stock | 90 | As is | in stock |
P-575328528 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 152.194 |
logP | 0.8941 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 46.01 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 43.0578 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 11 |
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 |