Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5695391344
Compound
Show structures
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 | 5 USD | 90 | 8 working days | Get Quote |
| 5 mg | 5 USD | 90 | 8 working days | Get Quote |
| 10 mg | 5 USD | 90 | 8 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-3598405830
- Component type: Main
-
MCULE-1034285072
- Component type: Main
-
MCULE-9704105681
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5695391344.sdf |
| SMILES | MCULE-5695391344.smiles |
| Standard InChI | MCULE-5695391344.inchi |
| InChIKey | MCULE-5695391344.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580730854 | BLD pharm | In-stock building blocks | 90 | As is | 4.425 kg |
| P-868609302 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-896629850 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854694085 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584620853 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-619672599 | Molnova | Stock | 98 | As is | in stock |
| P-888855446 | PharmaBlock | In stock | N/A | As is | in stock |
| P-617403604 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-489207408 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-895912996 | Apollo Scientific | On request | 95 | As a main component | by resynthesis (? - ? days) |
| P-580700810 | BLD pharm | In-stock building blocks | 90 | As a main component | 1.6 kg |
| P-605423631 | BLD pharm | In-stock building blocks | 95 | As a main component | 3.65 kg |
| P-590602451 | BLD pharm | In-stock building blocks | 99 | As a main component | 100 g |
| P-870587220 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-861472246 | Combi-Blocks | Building Block on demand | 97 | As a main component | by synthesis |
| P-868603580 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
| P-862094125 | FluoroChem | General BB | 95 | As a main component | in stock |
| P-899988175 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
| P-895184068 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-869092855 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-895227774 | MedChemExpress | Building Blocks in stock | 95 | As a main component | in stock |
| P-608280328 | Molnova | Stock | 98 | As a main component | in stock |
| P-870132471 | R&D Scientific | All | 97 | As a main component | in stock |
| P-617403399 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 90.078 |
| logP | -0.5482 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 19.4686 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
