MCULE-8514085734-1
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 46 USD | 98 | 12 working days | Get Quote |
10 mg | 46 USD | 98 | 12 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-8514085734-1.sdf |
SMILES | MCULE-8514085734-1.smiles |
Standard InChI | MCULE-8514085734-1.inchi |
InChIKey | MCULE-8514085734-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860630733 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
P-853427492 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
P-851391235 | AmBeed | On request | N/A | As an isomer | by synthesis |
P-489245327 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As an isomer | in stock |
P-489120113 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As an isomer | in stock |
P-596503669 | Asinex | General bb catalog | 90 | As an isomer | unavailable |
P-864304588 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
P-590869173 | BLD pharm | Non-stock building blocks | 95 | As an isomer | by synthesis |
P-580287616 | Debye Scientific | General Catalog | N/A | As an isomer | by resynthesis (? - ? days) |
P-500152066 | J&W Pharmlab | In-stock compounds | 98 | As an isomer | in stock |
P-596603016 | Key Organics | Building Blocks | 95 | As an isomer | 100 mg |
P-856079747 | LabSeeker, Inc | On demand Catalog | 95 | As an isomer | by resynthesis (? - ? days) |
P-580472839 | Manchester Organics | Compounds on demand | N/A | As an isomer | by synthesis |
P-854922756 | MedChemExpress | Building Blocks on demand | 95 | As an isomer | by synthesis |
P-424840311 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-611567982 | Toronto Research | In stock | 90 | As an isomer | in stock |
P-3000272 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 1.33 g |
P-854667765 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 154.595 |
logP | 2.4241 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 49.87 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 42.7161 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 7 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |