MCULE-6586344705
- 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 | 46 USD | 95 | 21 working days | Get Quote |
5 mg | 46 USD | 95 | 21 working days | Get Quote |
10 mg | 54 USD | 95 | 21 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-6586344705.sdf |
SMILES | MCULE-6586344705.smiles |
Standard InChI | MCULE-6586344705.inchi |
InChIKey | MCULE-6586344705.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852138357 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889951596 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-436455249 | Alinda | Building Blocks | 95 | As is | 10 g |
P-517165322 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851835043 | AmBeed | On request | N/A | As is | by synthesis |
P-901351379 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591147501 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454704022 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861535431 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580758505 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-596591945 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852409310 | Matrix Scientific | All | N/A | As is | in stock |
P-895657343 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885526921 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23967975 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873220553 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888577688 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855303663 | Toronto Research | In stock | 90 | As is | in stock |
P-1577676 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 766 mg |
P-3238225 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 766 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 297.129 |
logP | 4.2706 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.4003 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |