MCULE-9060060759
- 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 | 39 USD | 95 | 34 working days | Get Quote |
5 mg | 39 USD | 95 | 34 working days | Get Quote |
10 mg | 39 USD | 95 | 34 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-9060060759.sdf |
SMILES | MCULE-9060060759.smiles |
Standard InChI | MCULE-9060060759.inchi |
InChIKey | MCULE-9060060759.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893507080 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.57 kg |
P-851507352 | AmBeed | On request | N/A | As is | by synthesis |
P-872723674 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889776030 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-617426861 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-901541741 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-893228928 | Biosynth | In Stock | 95 | As is | in stock |
P-893232812 | Biosynth | In Stock | 95 | As is | in stock |
P-454646456 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-887171996 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-870662367 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-870647679 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-579453440 | Key Organics | Building Blocks | 97 | As is | 100 g |
P-524163560 | Key Organics | Building Blocks | 98 | As is | 25 g |
P-856006994 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-856005719 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
P-856027921 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-35247914 | Maybridge | Screening Collection | 90 | As is | 584 g |
P-864067319 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-22538596 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 337.368 |
logP | 3.4224 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 66.84 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 96.6808 |
Atoms | 44 |
Rings | 4 |
Heavy atoms | 25 |
Hydrogen atoms | 19 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |