MCULE-4841902966
- 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 | 38 USD | 90 | 19 working days | Get Quote |
5 mg | 55 USD | 90 | 19 working days | Get Quote |
10 mg | 69 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.
-
MCULE-8420810990
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4841902966.sdf |
SMILES | MCULE-4841902966.smiles |
Standard InChI | MCULE-4841902966.inchi |
InChIKey | MCULE-4841902966.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886569471 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889909071 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869249078 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851804134 | AmBeed | On request | N/A | As is | by synthesis |
P-589656710 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889814995 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590989133 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-901456164 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-577180294 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861428160 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-596592417 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-854879080 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424877455 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885527337 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611568296 | Toronto Research | In stock | 90 | As is | in stock |
P-464676504 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 4.55 g |
P-2517992 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 4.55 g |
P-893832108 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-892948448 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-895571694 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611416833 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 155.280 |
logP | 2.8935 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 54.7867 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 21 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |