MCULE-6045140729
- 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 | 17 USD | 98 | 11 working days | Get Quote |
5 mg | 17 USD | 98 | 11 working days | Get Quote |
10 mg | 17 USD | 98 | 11 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-6045140729.sdf |
SMILES | MCULE-6045140729.smiles |
Standard InChI | MCULE-6045140729.inchi |
InChIKey | MCULE-6045140729.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867659885 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875828270 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869185159 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-869338129 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-580241520 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-489153443 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-579791173 | Apollo Scientific | In Stock | 95 | As is | 40.289 kg |
P-868609313 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580420083 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861918182 | FluoroChem | General BB | N/A | As is | in stock |
P-579475623 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-856041516 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31277165 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-613284365 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-888726733 | Manchester Organics | Stock compounds | N/A | As is | 384 g |
P-852505270 | Matrix Scientific | All | N/A | As is | in stock |
P-621857847 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-500406492 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885539514 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502369324 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855248369 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 110.128 |
logP | 2.1341 |
H-bond acceptors | 0 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 31.366 |
Atoms | 15 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 7 |
Heteroatoms | 1 |
N/O atoms | 0 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |