MCULE-9080712110-0
- 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 | 21 USD | 98 | 20 working days | Get Quote |
5 mg | 21 USD | 98 | 20 working days | Get Quote |
10 mg | 21 USD | 98 | 20 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-9080712110-0.sdf |
SMILES | MCULE-9080712110-0.smiles |
Standard InChI | MCULE-9080712110-0.inchi |
InChIKey | MCULE-9080712110-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867572936 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875733686 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-588246426 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893513871 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 4.55 g |
P-619178970 | Angene | Building Blocks in stock | 98 | As is | 1.7 g |
P-580195822 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889550399 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-900155283 | AvaChem Scientific | In stock | 95 | As is | in stock |
P-893221652 | Biosynth | In Stock | 95 | As is | in stock |
P-893218742 | Biosynth | In Stock | 95 | As is | in stock |
P-868361685 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-580450180 | CliniSciences S.A.S | All products | 99 | As is | in stock |
P-887188301 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-868658628 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-870652186 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-868078928 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-492243242 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-524443820 | Key Organics | Biochemicals | 97 | As is | 790 mg |
P-31194402 | LaboTest | Screening Collection | 90 | As is | 200 mg |
P-896628446 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854713734 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584615157 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608276636 | Molnova | Stock | 98 | As is | in stock |
P-650815886 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-869115723 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892288111 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888631508 | TargetMol | Screening Compounds - stock amount | 95 | As is | 146 mg |
P-854971888 | Toronto Research | In stock | 90 | As is | in stock |
P-886934919 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 458.569 |
logP | 5.3622 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 42.32 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 139.2637 |
Atoms | 65 |
Rings | 5 |
Heavy atoms | 34 |
Hydrogen atoms | 31 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |