MCULE-6286821013
- 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 | 69 USD | 95 | 10 working days | Get Quote |
5 mg | 85 USD | 95 | 10 working days | Get Quote |
10 mg | 110 USD | 95 | 8 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-6286821013.sdf |
SMILES | MCULE-6286821013.smiles |
Standard InChI | MCULE-6286821013.inchi |
InChIKey | MCULE-6286821013.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852094807 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-875788165 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615722375 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851412090 | AmBeed | On request | N/A | As is | by synthesis |
P-481173666 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 3 g |
P-590732728 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-502504244 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454376141 | Key Organics | Building Blocks | 95 | As is | 14.539 g |
P-18676794 | Key Organics | Screening Compounds and Fragments | 95 | As is | 14.539 g |
P-852411872 | Matrix Scientific | All | N/A | As is | in stock |
P-864031857 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-502363462 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855304378 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 305.778 |
logP | 3.5893 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 91.85 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 73.1545 |
Atoms | 35 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 16 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |