MCULE-2860669215-0
- 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 | 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-2860669215-0.sdf |
SMILES | MCULE-2860669215-0.smiles |
Standard InChI | MCULE-2860669215-0.inchi |
InChIKey | MCULE-2860669215-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852094795 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890155537 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615730371 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19999289 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436454618 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851887927 | AmBeed | On request | N/A | As is | by synthesis |
P-591124656 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454716966 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861486049 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34769095 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-569433950 | Eximed | Building Block Catalog | 95 | As is | 2.94 g |
P-569195120 | Eximed | In-stock screening compounds | 90 | As is | 2.94 g |
P-580005355 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502981605 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-454402819 | Key Organics | Building Blocks | 95 | As is | 79.265 g |
P-18812568 | Key Organics | Screening Compounds and Fragments | 95 | As is | 79.265 g |
P-852408813 | Matrix Scientific | All | N/A | As is | in stock |
P-854920813 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-620235426 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 4.44 g |
P-26536949 | Otava | In-House Stock Library | 90 | As is | 4.44 g |
P-856072452 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 4.44 g |
P-19452401 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22780870 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-873220328 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888553774 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611375031 | Toronto Research | In stock | 90 | As is | in stock |
P-3231416 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.47 g |
P-1049275 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.47 g |
Property | Value |
---|---|
Components | 1 |
Mass | 175.187 |
logP | 1.00238 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 65.78 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 46.3747 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 9 |
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 |