Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9125771845-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 25 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3452614488-0
- Component type: Main
-
MCULE-9129707444-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9125771845-0.sdf |
| SMILES | MCULE-9125771845-0.smiles |
| Standard InChI | MCULE-9125771845-0.inchi |
| InChIKey | MCULE-9125771845-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893573295 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6 g |
| P-500415232 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-851146296 | BLD pharm | In-stock building blocks | 98 | As is | 1.21 g |
| P-851327472 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887189476 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889435354 | FluoroChem | General BB | N/A | As is | in stock |
| P-854716970 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-888838431 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-617403382 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-610959475 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 26.25 g |
| P-489156228 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-580697668 | BLD pharm | In-stock building blocks | 98 | As a main component | 7.5 g |
| P-871220439 | BOC Sciences | All products | N/A | As a main component | by resynthesis (? - ? days) |
| P-851261255 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-861490079 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-579476919 | DC Chemicals Limited | Stock Products | 95 | As a main component | in stock |
| P-901410868 | FluoroChem | General BB | N/A | As a main component | in stock |
| P-579622379 | LabSeeker, Inc | Stock Collection | 99 | As a main component | in stock |
| P-854715492 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-895201236 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
| P-896627652 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
| P-871066061 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-608273442 | Molnova | Stock | 98 | As a main component | in stock |
| P-579711398 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 388.885 |
| logP | 4.1081 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 62.66 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 109.5168 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 25 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
