MCULE-8034851506-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-8034851506-0.sdf |
SMILES | MCULE-8034851506-0.smiles |
Standard InChI | MCULE-8034851506-0.inchi |
InChIKey | MCULE-8034851506-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867317912 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-874644406 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-517165371 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851558332 | AmBeed | On request | N/A | As is | by synthesis |
P-590910721 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-577134689 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-607762682 | ChemDiv | Discovery Chemistry Library | 90 | As is | 13 mg |
P-34520864 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-579510564 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 2.1 g |
P-890208620 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-492218137 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502616878 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502449261 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503008162 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12998904 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-14188896 | Life Chemicals | Screening Compounds | 90 | As is | 83 mg |
P-852552774 | Matrix Scientific | All | N/A | As is | in stock |
P-863990807 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18979937 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33464598 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502333306 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888430762 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-888433367 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-644611 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.505 g |
P-3239628 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 1.505 g |
Property | Value |
---|---|
Components | 1 |
Mass | 236.656 |
logP | 2.4248 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 83.8 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 59.9303 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 9 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |