Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1468807652-0
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 | 18 USD | 98 | 20 working days | Get Quote |
| 5 mg | 18 USD | 98 | 20 working days | Get Quote |
| 10 mg | 18 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-1468807652-0.sdf |
| SMILES | MCULE-1468807652-0.smiles |
| Standard InChI | MCULE-1468807652-0.inchi |
| InChIKey | MCULE-1468807652-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627132 | 98 | As is | in stock |
| P-590417200 | 95 | As is | by resynthesis (? - ? days) |
| P-1270292866 | 98 | As is | in stock |
| P-606927954 | N/A | As is | in stock |
| P-865918970 | 98 | As is | 10 g |
| P-552039617 | 95 | As is | by resynthesis (? - ? days) |
| P-869386288 | 98 | As is | in stock |
| P-4300804 | 90 | As is | 5 mg |
| P-3340279 | 90 | As is | 40 mg |
| P-905430465 | 98 | As is | 4.475 g |
| P-13458094 | 92 | As is | 291 mg |
| P-454390409 | 95 | As is | 106.088 g |
| P-18766553 | 95 | As is | 106.088 g |
| P-14065807 | 90 | As is | 77 mg |
| P-13184144 | 90 | As is | 35 mg |
| P-885533289 | 95 | As is | by synthesis |
| P-579244279 | 90 | As is | in stock |
| P-502408452 | 90 | As is | in stock |
| P-906770865 | 98 | As is | by synthesis |
| P-611485263 | 90 | As is | in stock |
| P-2192979 | 90 | As is | 54 mg |
| P-1271713819 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.279 |
| logP | 3.2969 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.7635 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
