MCULE-9339404932-0
- 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 | 51 USD | 90 | 19 working days | Get Quote |
5 mg | 127 USD | 90 | 17 working days | Get Quote |
10 mg | 136 USD | 95 | 34 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-9339404932-0.sdf |
SMILES | MCULE-9339404932-0.smiles |
Standard InChI | MCULE-9339404932-0.inchi |
InChIKey | MCULE-9339404932-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886745278 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-852079184 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-901296652 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-875754243 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869258442 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903323522 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 5 g |
P-893385286 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-578527150 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851557161 | AmBeed | On request | N/A | As is | by synthesis |
P-864241133 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590823898 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-901550367 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-449699881 | ChemDiv | New Chemistry Library | 90 | As is | 966 mg |
P-861391117 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580388886 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-890209424 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579511737 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 2.5 g |
P-502830757 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492220433 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-601049101 | Life Chemicals | Screening Compounds | 90 | As is | unavailable |
P-14063924 | Life Chemicals | Building Blocks | 95 | As is | unavailable |
P-895289526 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19522633 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502354813 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611580165 | Toronto Research | In stock | 90 | As is | in stock |
P-855252027 | Toronto Research | In stock | 90 | As is | in stock |
P-1123607 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
P-893814849 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 180.204 |
logP | 1.2327 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 65.98 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 47.786 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |