MCULE-4116382006-0
- 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 | 16 USD | 95 | 8 working days | Get Quote |
5 mg | 16 USD | 95 | 8 working days | Get Quote |
10 mg | 16 USD | 95 | 8 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-1108269458-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4116382006-0.sdf |
SMILES | MCULE-4116382006-0.smiles |
Standard InChI | MCULE-4116382006-0.inchi |
InChIKey | MCULE-4116382006-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867568157 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-860615455 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-875728160 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869183588 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-869240385 | AK Scientific | Building Blocks | N/A | As is | in stock |
P-590381723 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-895956542 | Apollo Scientific | In Stock | 95 | As is | unavailable |
P-889740641 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 500 g |
P-893251437 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-608220090 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-596603097 | Key Organics | Building Blocks | 95 | As is | 406.49 g |
P-856039523 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31274490 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-613284113 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-584616503 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888171942 | Molnova | On demand | 98 | As is | by synthesis |
P-626540535 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-492279825 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-12680434 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-424918316 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885559022 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-875265494 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 3 mg |
P-855046560 | Toronto Research | In stock | 90 | As is | in stock |
P-854996809 | Toronto Research | In stock | 90 | As is | in stock |
P-3006665 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 92 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 88.105 |
logP | 0.8711 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 23.1138 |
Atoms | 14 |
Rings | 0 |
Heavy atoms | 6 |
Hydrogen atoms | 8 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |