MCULE-6988947031
- 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 | 43 USD | 95 | 20 working days | Get Quote |
5 mg | 43 USD | 95 | 20 working days | Get Quote |
10 mg | 43 USD | 95 | 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-6988947031.sdf |
SMILES | MCULE-6988947031.smiles |
Standard InChI | MCULE-6988947031.inchi |
InChIKey | MCULE-6988947031.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872831253 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875804199 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874608106 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-867719725 | AmBeed | In stock | N/A | As is | in stock |
P-619132525 | Angene | Building Blocks in stock | 95 | As is | 1.7 g |
P-864199599 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-861317239 | BLD pharm | In-stock building blocks | 97 | As is | 750 mg |
P-861384925 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-617705905 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1.07 g |
P-424361206 | Otava | In-House Stock Library | 90 | As is | 1.07 g |
P-888843166 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-596892167 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-505618071 | Ramidus | In stock compounds | 95 | As is | in stock |
P-615412142 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 158.241 |
logP | 1.7328 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 46.2791 |
Atoms | 29 |
Rings | 0 |
Heavy atoms | 11 |
Hydrogen atoms | 18 |
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 |