Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4457933903
Compound
Show structure
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 | 24 USD | 95 | 16 working days | Get Quote |
| 5 mg | 24 USD | 95 | 16 working days | Get Quote |
| 10 mg | 24 USD | 95 | 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-4544961027
- Component type: Main
-
MCULE-1400319379
- Component type: Main
-
MCULE-5538803475
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4457933903.sdf |
| SMILES | MCULE-4457933903.smiles |
| Standard InChI | MCULE-4457933903.inchi |
| InChIKey | MCULE-4457933903.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675239817 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-489168720 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-606956736 | BLD pharm | In-stock building blocks | 95 | As is | 3.35 g |
| P-851288387 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-851295111 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-870581643 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-608121241 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-888856792 | PharmaBlock | In stock | N/A | As is | in stock |
| P-610961431 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 766.26 g |
| P-489175064 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-860056737 | AvaChem Scientific | All products | 98 | As a main component | by synthesis |
| P-863650782 | BLD pharm | In-stock building blocks | 98 | As a main component | 950 mg |
| P-851247863 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-851295110 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-887160948 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-608079929 | LabSeeker, Inc | Stock Collection | 95 | As a main component | in stock |
| P-852522592 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-474027545 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-888172259 | Molnova | On demand | 98 | As a main component | by synthesis |
| P-608273599 | Molnova | Stock | 98 | As a main component | in stock |
| P-617404988 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| P-873282149 | Shanghai iChemical | In stock | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.190 |
| logP | 2.2015 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.6154 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
