MCULE-3307469415
- 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 | 13 USD | 95 | 11 working days | Get Quote |
5 mg | 13 USD | 95 | 11 working days | Get Quote |
10 mg | 13 USD | 95 | 11 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-3307469415.sdf |
SMILES | MCULE-3307469415.smiles |
Standard InChI | MCULE-3307469415.inchi |
InChIKey | MCULE-3307469415.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867572058 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875733257 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869195487 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-588247830 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893290681 | AmBeed | On request | N/A | As is | by synthesis |
P-596987766 | Angene | Building Blocks in stock | 99 | As is | 200 g |
P-864197021 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591151965 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
P-893227944 | Biosynth | In Stock | 95 | As is | in stock |
P-868597046 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580303877 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862094378 | FluoroChem | General BB | N/A | As is | in stock |
P-596564644 | Key Organics | Building Blocks | 97 | As is | 10 g |
P-856006704 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-31257096 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-613276144 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-584613810 | MedKoo | In stock compounds | 95 | As is | in stock |
P-500372548 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885542926 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869125380 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888638972 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-855354410 | Toronto Research | In stock | 90 | As is | in stock |
P-615412188 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 210.270 |
logP | 3.4075 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.709 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 14 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |