MCULE-3813552819
- 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 | 38 USD | 90 | 19 working days | Get Quote |
5 mg | 55 USD | 90 | 19 working days | Get Quote |
10 mg | 69 USD | 90 | 19 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-3813552819.sdf |
SMILES | MCULE-3813552819.smiles |
Standard InChI | MCULE-3813552819.inchi |
InChIKey | MCULE-3813552819.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886655083 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889950333 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869250799 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436462756 | Alinda | Building Blocks | 95 | As is | in stock |
P-851440744 | AmBeed | On request | N/A | As is | by synthesis |
P-889808247 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590763181 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-901426919 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-619934159 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861539790 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-596592535 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-852433534 | Matrix Scientific | All | N/A | As is | in stock |
P-895518557 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-424928210 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885527441 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-25597985 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.163 g |
P-464678075 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.163 g |
P-893750310 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893728563 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 251.253 |
logP | 1.7004 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 57.61 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 67.0983 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |