MCULE-4338646799
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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-4338646799.sdf |
SMILES | MCULE-4338646799.smiles |
Standard InChI | MCULE-4338646799.inchi |
InChIKey | MCULE-4338646799.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867405156 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889925279 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869206189 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893615729 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1000 mg |
P-888932013 | AmBeed | On request | N/A | As is | by synthesis |
P-895941841 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889846604 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-454760859 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607722235 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-889039420 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34743144 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580769091 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580779982 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-862056180 | FluoroChem | General BB | N/A | As is | in stock |
P-503871860 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-874466954 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-580476898 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-35173428 | Maybridge | Screening Collection | 90 | As is | 11.125 kg |
P-854791357 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888845007 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-23881055 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491133573 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12824950 | Specs | Screening Compounds | 90 | As is | 55 mg |
P-33468023 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502345442 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611597509 | Toronto Research | In stock | 90 | As is | in stock |
P-1141487 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.06 g |
P-596526590 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.06 g |
Property | Value |
---|---|
Components | 1 |
Mass | 206.266 |
logP | 1.17 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 64.43 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.2337 |
Atoms | 24 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
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 |