MCULE-9892933336
- 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 | 19 working days | Get Quote |
5 mg | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-9892933336.sdf |
SMILES | MCULE-9892933336.smiles |
Standard InChI | MCULE-9892933336.inchi |
InChIKey | MCULE-9892933336.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892859040 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889915801 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612940018 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851587211 | AmBeed | On request | N/A | As is | by synthesis |
P-596398167 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596491620 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-590908419 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492269456 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-868568421 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-596587460 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852386169 | Matrix Scientific | All | N/A | As is | in stock |
P-854924113 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23969226 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523398 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-896207510 | Specs | Screening Compounds | 90 | As is | 11 mg |
P-873236842 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611391146 | Toronto Research | In stock | 90 | As is | in stock |
P-3226593 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.006 g |
P-1822052 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.006 g |
Property | Value |
---|---|
Components | 1 |
Mass | 286.282 |
logP | 0.3861 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 79.73 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 75.5558 |
Atoms | 35 |
Rings | 4 |
Heavy atoms | 21 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |