MCULE-8149899109
- 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 | 95 | 14 working days | Get Quote |
5 mg | 35 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-8149899109.sdf |
SMILES | MCULE-8149899109.smiles |
Standard InChI | MCULE-8149899109.inchi |
InChIKey | MCULE-8149899109.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852087192 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889916289 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-615722973 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436452674 | Alinda | Building Blocks | 95 | As is | 6 g |
P-851531013 | AmBeed | On request | N/A | As is | by synthesis |
P-901350512 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590894066 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454619421 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861513504 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579510920 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 5.1 g |
P-890208929 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-596586814 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-899779435 | Life Chemicals | Screening Compounds | 90 | As is | 335 mg |
P-588254836 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852406680 | Matrix Scientific | All | N/A | As is | in stock |
P-854925832 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424838195 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-859980864 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873219725 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611449973 | Toronto Research | In stock | 90 | As is | in stock |
P-1577096 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.99 g |
P-3221309 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.99 g |
Property | Value |
---|---|
Components | 1 |
Mass | 292.397 |
logP | 2.1685 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 86.3 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 78.1268 |
Atoms | 43 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 24 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |