MCULE-3339748442
- 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 | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-3339748442.sdf |
SMILES | MCULE-3339748442.smiles |
Standard InChI | MCULE-3339748442.inchi |
InChIKey | MCULE-3339748442.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886612033 | A2B Chem | Predominantly Building Block in stock | 10 | As is | in stock |
P-890157856 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-893608069 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.49 g |
P-878259613 | AmBeed | In stock | N/A | As is | in stock |
P-888819035 | Angene | Building Blocks in stock | 99 | As is | 1.99 g |
P-889592896 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-892412020 | BLD pharm | In-stock building blocks | 99 | As is | 1.297 g |
P-4285142 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-887186240 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-861295520 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-868658323 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-488547175 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-12506336 | InterBioScreen | Screening Compounds | 92 | As is | 31 mg |
P-888623388 | Key Organics | Building Blocks | 95 | As is | 5 mg |
P-874445893 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-23796639 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-19546379 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-892255330 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892296752 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892339683 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
P-22885505 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-1028151 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 942 mg |
P-894003338 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 334.367 |
logP | 4.4474 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 59.48 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 99.308 |
Atoms | 43 |
Rings | 4 |
Heavy atoms | 25 |
Hydrogen atoms | 18 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |