MCULE-3143578719
- 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 | 36 USD | 95 | 14 working days | Get Quote |
5 mg | 36 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-3143578719.sdf |
SMILES | MCULE-3143578719.smiles |
Standard InChI | MCULE-3143578719.inchi |
InChIKey | MCULE-3143578719.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886614146 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889928436 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612942658 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436448052 | Alinda | Building Blocks | 95 | As is | 10 g |
P-34876158 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-901179820 | AmBeed | In stock | N/A | As is | in stock |
P-596489490 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596355227 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-901335165 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-901919530 | BLD pharm | In-stock building blocks | 97 | As is | 250 mg |
P-454696606 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619343546 | ChemDiv | Discovery Chemistry Library | 90 | As is | 50 mg |
P-861532822 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-502478618 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596598746 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-852383618 | Matrix Scientific | All | N/A | As is | in stock |
P-854843084 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492284641 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.386 g |
P-12913271 | Otava | In-House Stock Library | 90 | As is | 1.386 g |
P-500381713 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-424825223 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885531500 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502348609 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888435005 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855222655 | Toronto Research | In stock | 90 | As is | in stock |
P-25180740 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.148 g |
P-596535801 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.148 g |
P-893866046 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 252.292 |
logP | 3.3932 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 93.71 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 63.4951 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |