MCULE-6882587306
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-6882587306.sdf |
SMILES | MCULE-6882587306.smiles |
Standard InChI | MCULE-6882587306.inchi |
InChIKey | MCULE-6882587306.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590414621 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893447040 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 26.2 g |
P-851939169 | AmBeed | In stock | N/A | As is | in stock |
P-895935402 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-869973074 | Asinex | General screening catalog | 90 | As is | 4 mg |
P-864175875 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-871219509 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-901647264 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-488545806 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-12542613 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
P-596593919 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-31267486 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856044959 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-580468030 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-895202785 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-895387200 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12962359 | Otava | In-House Stock Library | 90 | As is | 185 mg |
P-888844977 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-454370632 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13768777 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-885528818 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23855942 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23387743 | Specs | Screening Compounds | 90 | As is | 3 mg |
P-502367497 | TimTec | Building Block Collection | 90 | As is | in stock |
P-873041523 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 3 mg |
P-1028142 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 121 mg |
P-868513985 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 309.282 |
logP | 3.5756 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 33.45 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 79.946 |
Atoms | 36 |
Rings | 4 |
Heavy atoms | 22 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |