Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2121893947-0
Structure
Show compound
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 | 19 USD | 98 | 22 working days | Get Quote |
| 5 mg | 75 USD | 95 | 27 working days | Get Quote |
| 10 mg | 99 USD | 100 | 8 working days | Get Quote |
- 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-5469886479-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2121893947-0.sdf |
| SMILES | MCULE-2121893947-0.smiles |
| Standard InChI | MCULE-2121893947-0.inchi |
| InChIKey | MCULE-2121893947-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867619422 | N/A | As is | in stock |
| P-872838628 | 98 | As is | in stock |
| P-892784942 | 95 | As is | by resynthesis (? - ? days) |
| P-874614614 | 98 | As is | by resynthesis (? - ? days) |
| P-893536405 | 90 | As is | 5.553 g |
| P-893515826 | 90 | As is | 300 mg |
| P-1270379400 | 99 | As is | in stock |
| P-851937421 | N/A | As is | in stock |
| P-606910157 | N/A | As is | in stock |
| P-865934150 | 98 | As is | 100 mg |
| P-865916874 | 99 | As is | 100 mg |
| P-1273268741 | 95 | As is | by resynthesis (? - ? days) |
| P-1273268328 | 95 | As is | by resynthesis (? - ? days) |
| P-1273297411 | 95 | As is | by resynthesis (? - ? days) |
| P-905468122 | 95 | As is | in stock |
| P-864204350 | 95 | As is | in stock |
| P-868544664 | 99 | As is | in stock |
| P-901520502 | 95 | As is | by synthesis |
| P-901549420 | 95 | As is | by synthesis |
| P-448864384 | 90 | As is | 2.218 g |
| P-578509803 | 90 | As is | in stock |
| P-861286969 | 98 | As is | in stock |
| P-855956741 | 97 | As is | 35 mg |
| P-855925641 | 97 | As is | 50 mg |
| P-892287116 | 95 | As is | unavailable |
| P-892287455 | 95 | As is | unavailable |
| P-869109982 | 95 | As is | 143 mg |
| P-869108967 | 95 | As is | 156 mg |
| P-888627753 | 95 | As is | 156 mg |
| P-888628424 | 95 | As is | 143 mg |
| P-907119327 | 94 | As is | by resynthesis (? - ? days) |
| P-1271709071 | 99 | As is | in stock |
| P-886969622 | 98 | As is | by synthesis |
| P-867681405 | 95 | As a main component | in stock |
| P-869292892 | 95 | As a main component | by resynthesis (? - ? days) |
| P-904320030 | 90 | As a main component | 6.203 g |
| P-891646526 | N/A | As a main component | by synthesis |
| P-895106595 | 98 | As a main component | 10 mg |
| P-1273293437 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889521523 | 95 | As a main component | by synthesis |
| P-868545245 | 100 | As a main component | in stock |
| P-901546258 | 95 | As a main component | by synthesis |
| P-904244208 | 95 | As a main component | unavailable |
| P-892214556 | 95 | As a main component | 25 mg |
| P-892310869 | 95 | As a main component | 22 mg |
| P-855353425 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 317.423 |
| logP | 5.3208 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 98.6302 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
