Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5721366729
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.
|
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 | 27 USD | 99 | 8 working days | Get Quote |
| 5 mg | 27 USD | 99 | 8 working days | Get Quote |
| 10 mg | 49 USD | 98 | 9 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-2623123657
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5721366729.sdf |
| SMILES | MCULE-5721366729.smiles |
| Standard InChI | MCULE-5721366729.inchi |
| InChIKey | MCULE-5721366729.txt |
| mcule product ID | Supplier | Catalog | Purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-492243110 | Innovapharm | Building Blocks | 95 | As is | in stock | December 18, 2016 |
| P-500375147 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis | August 8, 2017 |
| P-505404511 | AK Scientific | Building Blocks | 99 | As a main component | in stock | July 13, 2018 |
| P-588155565 | Advamacs (TriMen Chemicals) | All | 95 | As a main component | in stock | April 18 |
| P-580745439 | Ark Pharm Inc. | In-stock Building Blocks | 98 | As a main component | in stock | March 12 |
| P-505494749 | Hangzhou Apichem | All products | 95 | As a main component | in stock | June 30, 2017 |
| P-492243109 | Innovapharm | Building Blocks | 95 | As a main component | in stock | December 18, 2016 |
| P-488555440 | InterBioScreen | Bioactive compounds | 90 | As a main component | in stock | October 1, 2016 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 438.515 |
| logP | 2.8959 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 95.94 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 124.493 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 30 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
