MCULE-9995881988
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-9995881988.sdf |
SMILES | MCULE-9995881988.smiles |
Standard InChI | MCULE-9995881988.inchi |
InChIKey | MCULE-9995881988.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867694675 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875875049 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874618635 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-893511499 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1000 mg |
P-851934227 | AmBeed | In stock | N/A | As is | in stock |
P-865938971 | Angene | Building Blocks in stock | 97 | As is | 100 mg |
P-596293109 | Asinex | General screening catalog | 90 | As is | 90 mg |
P-864205100 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619602240 | BLD pharm | In-stock building blocks | 97 | As is | 50 mg |
P-4357655 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-3672647 | ChemDiv | Discovery Chemistry Library | 90 | As is | 24 mg |
P-887192873 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-12430092 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-445308339 | Pharmeks LLC | Synthetic compounds | 92 | As is | 108 mg |
P-18913537 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33607701 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-381220 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 178 mg |
P-886892394 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 418.534 |
logP | 4.3668 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 136.99 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 113.3814 |
Atoms | 50 |
Rings | 3 |
Heavy atoms | 28 |
Hydrogen atoms | 22 |
Heteroatoms | 8 |
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 |