Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1889705721
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 | 13 USD | 98 | 16 working days | Get Quote |
| 5 mg | 33 USD | 98 | 16 working days | Get Quote |
| 10 mg | 49 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.
| Name | File |
|---|---|
| SDF | MCULE-1889705721.sdf |
| SMILES | MCULE-1889705721.smiles |
| Standard InChI | MCULE-1889705721.inchi |
| InChIKey | MCULE-1889705721.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875718725 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-580726867 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
| P-861369274 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854622250 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-854721238 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584618542 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608274574 | Molnova | Stock | 98 | As is | in stock |
| P-867558894 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-590399528 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-606831303 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-596944489 | Angene | Building Blocks in stock | 98 | As an isomer | 3.779 g |
| P-580195462 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-889550882 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-608496361 | DC Chemicals Limited | Stock Products | 95 | As an isomer | in stock |
| P-675217026 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-596583138 | Key Organics | Building Blocks | 97 | As an isomer | 1 mg |
| P-35196769 | Maybridge | Screening Collection | 90 | As an isomer | unavailable |
| P-579712468 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-888640442 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869127292 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 330.767 |
| logP | 3.87288 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 91.28 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 88.0452 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
