Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1353253711
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 | 44 USD | 95 | 14 working days | Get Quote |
| 5 mg | 87 USD | 98 | 16 working days | Get Quote |
| 10 mg | 133 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-4400474200
- Component type: Main
-
MCULE-6238124369
- Component type: Main
-
MCULE-1294461004
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1353253711.sdf |
| SMILES | MCULE-1353253711.smiles |
| Standard InChI | MCULE-1353253711.inchi |
| InChIKey | MCULE-1353253711.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875816882 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-591129320 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
| P-851244102 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887190573 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579479000 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-852502980 | Matrix Scientific | All | N/A | As is | in stock |
| P-854715908 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474023198 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-851278250 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-871068655 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-888169438 | Molnova | On demand | 98 | As a main component | by synthesis |
| P-867648750 | A2B Chem | Predominantly Building Block in stock | 99 | As an isomer | in stock |
| P-610974896 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 425 mg |
| P-851843478 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-868831475 | Angene | Building Blocks in stock | 99 | As an isomer | 300 mg |
| P-580193135 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-860797980 | Chiralstar | Chiralstar Building Blocks | 98 | As an isomer | in stock |
| P-675215892 | Hangzhou Apichem | Building Blocks in stock | 95 | As an isomer | in stock |
| P-873245417 | Key Organics | Building Blocks | 95 | As an isomer | 5 mg |
| P-608277895 | Molnova | Stock | 98 | As an isomer | in stock |
| P-579709955 | Selleckchem | Product Catalog | N/A | As an isomer | in stock |
| P-589631357 | Selleckchem | Epigenetics | N/A | As an isomer | in stock |
| P-464639051 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-855322867 | Toronto Research | In stock | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 375.470 |
| logP | 3.2498 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 72.97 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 120.3174 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
