MCULE-8804594867
- 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 | 128 USD | 95 | 22 working days | Get Quote |
5 mg | 128 USD | 95 | 22 working days | Get Quote |
10 mg | 128 USD | 95 | 22 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-4701719569
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8804594867.sdf |
SMILES | MCULE-8804594867.smiles |
Standard InChI | MCULE-8804594867.inchi |
InChIKey | MCULE-8804594867.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886689711 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889991093 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-864266711 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-617429803 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861348550 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-596567288 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-895680436 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611440761 | Toronto Research | In stock | 90 | As is | in stock |
P-893648966 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-886726305 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-890024438 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869308045 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-889801464 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-611017755 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-893219186 | Biosynth | In Stock | 95 | As a main component | in stock |
P-895569386 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855017712 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893762120 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 191.269 |
logP | 2.4533 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 61.1307 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 17 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |