MCULE-8236489917-0
- 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 | 5 USD | 98 | 22 working days | Get Quote |
5 mg | 7 USD | N/A | 9 working days | Get Quote |
10 mg | 7 USD | N/A | 9 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-6876179562-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8236489917-0.sdf |
SMILES | MCULE-8236489917-0.smiles |
Standard InChI | MCULE-8236489917-0.inchi |
InChIKey | MCULE-8236489917-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867661406 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875830324 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869187559 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505351360 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606863638 | AmBeed | In stock | N/A | As is | in stock |
P-871220470 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-868610341 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-579476887 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-500418206 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-895185015 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-854692876 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-12687936 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-620225642 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-19553828 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611473543 | Toronto Research | In stock | 90 | As is | in stock |
P-666967853 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 180.164 |
logP | -1.0397 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 72.68 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 47.1377 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 8 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |