MCULE-6409681935
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 64 USD | 90 | 19 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-6409681935.sdf |
SMILES | MCULE-6409681935.smiles |
Standard InChI | MCULE-6409681935.inchi |
InChIKey | MCULE-6409681935.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886678456 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875848848 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869270608 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893508618 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 65.661 g |
P-851789499 | AmBeed | On request | N/A | As is | by synthesis |
P-873298531 | Angene | Building Blocks in stock | 98 | As is | 7 g |
P-895944238 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-596498467 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596464463 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-889586276 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591082042 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-619308776 | ChemDiv | Discovery Chemistry Library | 90 | As is | 11 mg |
P-887168092 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34572893 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-889320875 | FluoroChem | General BB | 97 | As is | in stock |
P-891319215 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-613279103 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852402904 | Matrix Scientific | All | N/A | As is | in stock |
P-863715626 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888893624 | PharmaBlock | In stock | N/A | As is | in stock |
P-856063766 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 6.3 g |
P-23885115 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33467259 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502344426 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611428944 | Toronto Research | In stock | 90 | As is | in stock |
P-1228632 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 45 mg |
P-886897537 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 168.193 |
logP | 0.7457 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 44.8068 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 12 |
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 |