MCULE-2699123284
- 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 | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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.
-
MCULE-8511887624
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2699123284.sdf |
SMILES | MCULE-2699123284.smiles |
Standard InChI | MCULE-2699123284.inchi |
InChIKey | MCULE-2699123284.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867457773 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-580226680 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851683270 | AmBeed | On request | N/A | As is | by synthesis |
P-611178797 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-580346053 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-890219936 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590344242 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 680 mg |
P-852563361 | Matrix Scientific | All | N/A | As is | in stock |
P-859997200 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611578994 | Toronto Research | In stock | 90 | As is | in stock |
P-25473196 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-867336651 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-889990673 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
P-869202547 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851654839 | AmBeed | On request | N/A | As a main component | by synthesis |
P-889801737 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-611182639 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-889343522 | FluoroChem | General BB | N/A | As a main component | in stock |
P-854875834 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611602380 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893733900 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 178.231 |
logP | 1.7747 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 55.12 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 51.9186 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |