MCULE-7929437738
- 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 | 64 USD | 90 | 22 working days | Get Quote |
5 mg | 94 USD | 90 | 22 working days | Get Quote |
10 mg | 129 USD | 90 | 22 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-7929437738.sdf |
SMILES | MCULE-7929437738.smiles |
Standard InChI | MCULE-7929437738.inchi |
InChIKey | MCULE-7929437738.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-853434407 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-425203515 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436452359 | Alinda | Building Blocks | 95 | As is | in stock |
P-851794342 | AmBeed | On request | N/A | As is | by synthesis |
P-591089633 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-4799109 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
P-454615801 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-14897293 | ChemDiv | Discovery Chemistry Library | 90 | As is | 4.119 g |
P-580308887 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889386395 | FluoroChem | General BB | 95 | As is | in stock |
P-467883327 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852445771 | Matrix Scientific | All | N/A | As is | in stock |
P-864028620 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-502358671 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22500221 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 578 mg |
P-855247935 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 269.337 |
logP | 4.1795 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 50.19 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 80.8263 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |