MCULE-9883167144
- 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 | 23 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-9883167144.sdf |
SMILES | MCULE-9883167144.smiles |
Standard InChI | MCULE-9883167144.inchi |
InChIKey | MCULE-9883167144.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867315810 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889950414 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894660481 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436462473 | Alinda | Building Blocks | 95 | As is | 1000 mg |
P-578612020 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-867732463 | AmBeed | On request | N/A | As is | by synthesis |
P-901358910 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-605402583 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-619932668 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-449239567 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
P-861537789 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580088742 | Eximed | Building Block Catalog | 95 | As is | 91.92 g |
P-579798961 | Eximed | In-stock screening compounds | 90 | As is | 91.92 g |
P-502459432 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-504466021 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-502967535 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492227610 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-855974385 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-31214787 | LaboTest | Screening Collection | 90 | As is | 2 g |
P-852433306 | Matrix Scientific | All | N/A | As is | in stock |
P-854908188 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-34007622 | Otava | In-House Stock Library | 90 | As is | 91.92 g |
P-492275031 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 91.92 g |
P-856064635 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 91.92 g |
P-19355359 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502387571 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855213362 | Toronto Research | In stock | 90 | As is | in stock |
P-588839011 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 233.309 |
logP | 1.5035 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 49.57 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 76.5839 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 19 |
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 |