MCULE-1991681277
- 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 | 99 | 8 working days | Get Quote |
5 mg | 5 USD | 99 | 8 working days | Get Quote |
10 mg | 5 USD | 99 | 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.
-
MCULE-6056472026
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1991681277.sdf |
SMILES | MCULE-1991681277.smiles |
Standard InChI | MCULE-1991681277.inchi |
InChIKey | MCULE-1991681277.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-901199872 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-875827539 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-25941756 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 100 mg |
P-500414008 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
P-580733964 | BLD pharm | In-stock building blocks | 99 | As is | 272 g |
P-851278394 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868593295 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-868661201 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-493678924 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-579615193 | LabSeeker, Inc | Stock Collection | 99 | As is | in stock |
P-852458983 | Matrix Scientific | All | N/A | As is | in stock |
P-895225038 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-854690737 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-901014342 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-875730264 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-900155486 | AvaChem Scientific | In stock | 95 | As a main component | in stock |
P-861344128 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-896630856 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
P-899992147 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
P-896072054 | MedKoo | In stock compounds | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 320.336 |
logP | 2.7332 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 93.06 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 84.3533 |
Atoms | 43 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 20 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |