MCULE-1391087919
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-1391087919.sdf |
SMILES | MCULE-1391087919.smiles |
Standard InChI | MCULE-1391087919.inchi |
InChIKey | MCULE-1391087919.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867606789 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875765795 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-595222114 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893407744 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-436455734 | Alinda | Building Blocks | 95 | As is | in stock |
P-851453378 | AmBeed | On request | N/A | As is | by synthesis |
P-489225358 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-864112347 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-4137820 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-454705066 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-851300670 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-893622694 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580436840 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862038569 | FluoroChem | General BB | N/A | As is | in stock |
P-505536589 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-563392728 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852409759 | Matrix Scientific | All | N/A | As is | in stock |
P-864071474 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19573670 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-873220769 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611468130 | Toronto Research | In stock | 90 | As is | in stock |
P-1433581 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.123 g |
P-886947174 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 200.235 |
logP | 0.4025 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 60.85 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 55.3308 |
Atoms | 30 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |