MCULE-5868303078
- 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 | 20 USD | 98 | 11 working days | Get Quote |
5 mg | 20 USD | 98 | 11 working days | Get Quote |
10 mg | 20 USD | 98 | 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-5868303078.sdf |
SMILES | MCULE-5868303078.smiles |
Standard InChI | MCULE-5868303078.inchi |
InChIKey | MCULE-5868303078.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875734220 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-864306025 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868602865 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580301770 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889115160 | FluoroChem | In Stock BB | 97 | As is | 1000 mg |
P-454408442 | Key Organics | Building Blocks | 95 | As is | 10 g |
P-856039553 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31273658 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-852474560 | Matrix Scientific | All | N/A | As is | in stock |
P-885558969 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-474029966 | Rieke Metals | Building Blocks | 97 | As is | in stock |
P-502367987 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611619215 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 98.186 |
logP | 2.7527 |
H-bond acceptors | 0 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 35.289 |
Atoms | 21 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 14 |
Heteroatoms | 0 |
N/O atoms | 0 |
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 |