MCULE-3814179316
- 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 | 8 USD | 97 | 20 working days | Get Quote |
5 mg | 8 USD | 97 | 20 working days | Get Quote |
10 mg | 8 USD | 97 | 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-3814179316.sdf |
SMILES | MCULE-3814179316.smiles |
Standard InChI | MCULE-3814179316.inchi |
InChIKey | MCULE-3814179316.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867575574 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875735899 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-611623289 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-893545787 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 545.402 g |
P-606894900 | AmBeed | In stock | N/A | As is | in stock |
P-596950896 | Angene | Building Blocks in stock | 97 | As is | 200 g |
P-895957076 | Apollo Scientific | In Stock | 95 | As is | 2 g |
P-864170707 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-590632005 | BLD pharm | In-stock building blocks | 97 | As is | 46.7 g |
P-871220892 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-893228329 | Biosynth | In Stock | 95 | As is | in stock |
P-851261443 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-887967025 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580282826 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-31156420 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-856043498 | LaboTest | Building Blocks | 90 | As is | 2 g |
P-854741183 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-596764690 | Synthonix | In-stock Building Blocks | 97 | As is | 607.23 g |
P-502365127 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611589946 | Toronto Research | In stock | 90 | As is | in stock |
P-893987254 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 194.183 |
logP | 1.3288 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 52.6 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 50.201 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |