MCULE-5640369021
- 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 | 95 | 7 working days | Get Quote |
5 mg | 61 USD | 95 | 7 working days | Get Quote |
10 mg | 89 USD | 90 | 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-5640369021.sdf |
SMILES | MCULE-5640369021.smiles |
Standard InChI | MCULE-5640369021.inchi |
InChIKey | MCULE-5640369021.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872829606 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-886045316 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-867445473 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-892782988 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610974813 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 10.2 g |
P-870135838 | AmBeed | In stock | N/A | As is | in stock |
P-881102150 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
P-889548217 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-851279930 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-502691263 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-888622747 | Key Organics | Building Blocks | 95 | As is | 5 mg |
P-14170987 | Life Chemicals | Screening Compounds | 90 | As is | 125 mg |
P-35204135 | Maybridge | Screening Collection | 90 | As is | 4.006 kg |
P-622096541 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-622924330 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-12687419 | Otava | In-House Stock Library | 90 | As is | 51 mg |
P-869157090 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892293675 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888653240 | TargetMol | Screening Compounds - stock amount | 95 | As is | 101 mg |
P-33843145 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-886951989 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 263.333 |
logP | 4.4407 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 86.7187 |
Atoms | 37 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 17 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |