MCULE-7933263354
- 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 | 9 USD | 97 | 20 working days | Get Quote |
5 mg | 9 USD | 97 | 20 working days | Get Quote |
10 mg | 9 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-7933263354.sdf |
SMILES | MCULE-7933263354.smiles |
Standard InChI | MCULE-7933263354.inchi |
InChIKey | MCULE-7933263354.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867604559 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875762533 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869194356 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-590373211 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-517098271 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-517290265 | Alinda | Building Blocks | 95 | As is | in stock |
P-606844727 | AmBeed | In stock | N/A | As is | in stock |
P-597006029 | Angene | Building Blocks in stock | 97 | As is | 499.9 g |
P-589663608 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864197767 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-608405742 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868646592 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580438718 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-454393412 | Key Organics | Building Blocks | 97 | As is | 1.86 g |
P-596603076 | Key Organics | Building Blocks | 95 | As is | 83 g |
P-596546857 | Key Organics | Screening Compounds and Fragments | 97 | As is | 1.86 g |
P-580492404 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-863727646 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-888172474 | Molnova | On demand | 98 | As is | by synthesis |
P-885537562 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617403462 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-869178473 | TargetMol | Natural Products | 95 | As is | 4.552 g |
P-502374735 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888592840 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611445738 | Toronto Research | In stock | 90 | As is | in stock |
P-615453668 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 130.185 |
logP | 1.8973 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 37.5348 |
Atoms | 23 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 14 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |