MCULE-5598841560
- 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 | 34 USD | 90 | 19 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-5598841560.sdf |
SMILES | MCULE-5598841560.smiles |
Standard InChI | MCULE-5598841560.inchi |
InChIKey | MCULE-5598841560.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867637149 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875802396 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590364000 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893362835 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-20004378 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436446070 | Alinda | Building Blocks | 95 | As is | 40 g |
P-851655247 | AmBeed | On request | N/A | As is | by synthesis |
P-596384663 | Asinex | General screening catalog | 90 | As is | 781 mg |
P-889842630 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591006945 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-4890088 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-454619350 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-3911662 | ChemDiv | Discovery Chemistry Library | 90 | As is | 12 mg |
P-868634214 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34781000 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-861930603 | FluoroChem | General BB | N/A | As is | in stock |
P-12597436 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-596589151 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-852396743 | Matrix Scientific | All | N/A | As is | in stock |
P-895225483 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-23892846 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885524627 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-454106916 | Specs | Screening Compounds | 90 | As is | 21 mg |
P-873212715 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22446904 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 43 mg |
P-855235557 | Toronto Research | In stock | 90 | As is | in stock |
P-3230622 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.219 g |
P-1013545 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.219 g |
P-893871166 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 293.315 |
logP | 3.9987 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 59.42 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 85.4373 |
Atoms | 37 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 15 |
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 |