MCULE-1600430044
- 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 | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-1600430044.sdf |
SMILES | MCULE-1600430044.smiles |
Standard InChI | MCULE-1600430044.inchi |
InChIKey | MCULE-1600430044.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867645830 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875812783 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-612939054 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436446899 | Alinda | Building Blocks | 95 | As is | in stock |
P-19987618 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-606851810 | AmBeed | In stock | N/A | As is | in stock |
P-888820308 | Angene | Building Blocks in stock | 95 | As is | 4 g |
P-889843163 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-890243703 | BLD pharm | In-stock building blocks | 95 | As is | 4 g |
P-492247965 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454693049 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868634431 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34565475 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-861975118 | FluoroChem | General BB | N/A | As is | in stock |
P-503008044 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-596589540 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852392756 | Matrix Scientific | All | N/A | As is | in stock |
P-854921415 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885524881 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-19229606 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22636948 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502333359 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888447426 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855301490 | Toronto Research | In stock | 90 | As is | in stock |
P-3231633 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.168 g |
P-468121 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.168 g |
P-3242229 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 1.168 g |
P-872756342 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 226.273 |
logP | 2.8996 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 66.4111 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |