MCULE-2232087564
- 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 | 12 USD | 98 | 22 working days | Get Quote |
5 mg | 24 USD | 98 | 20 working days | Get Quote |
10 mg | 37 USD | 98 | 20 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-2232087564.sdf |
SMILES | MCULE-2232087564.smiles |
Standard InChI | MCULE-2232087564.inchi |
InChIKey | MCULE-2232087564.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867612647 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875772688 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869198631 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903113430 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 200 mg |
P-610974901 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 29.705 g |
P-606908925 | AmBeed | In stock | N/A | As is | in stock |
P-489221219 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596962955 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
P-872725124 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889546136 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580725568 | BLD pharm | In-stock building blocks | 98 | As is | 114 mg |
P-901459872 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851279894 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860799346 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861511651 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579480030 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-596562390 | Key Organics | Building Blocks | 97 | As is | 10 mg |
P-854711525 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474024278 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608269949 | Molnova | Stock | 98 | As is | in stock |
P-617403719 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
P-869124970 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892290569 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888638643 | TargetMol | Screening Compounds - stock amount | 95 | As is | 50 mg |
P-906795773 | Titan Scientific | Predominantly Building Block on demand | 98 | As is | by synthesis |
P-854637881 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-868495735 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 565.679 |
logP | 5.9476 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 68.78 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 171.7232 |
Atoms | 78 |
Rings | 5 |
Heavy atoms | 42 |
Hydrogen atoms | 36 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |