Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6088596771
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 | 18 USD | 98 | 19 working days | Get Quote |
| 5 mg | 18 USD | 98 | 19 working days | Get Quote |
| 10 mg | 18 USD | 98 | 19 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-9392079342
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6088596771.sdf |
| SMILES | MCULE-6088596771.smiles |
| Standard InChI | MCULE-6088596771.inchi |
| InChIKey | MCULE-6088596771.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875708037 | 98 | As is | in stock |
| P-1275170245 | 98 | As is | in stock |
| P-1264449206 | 98 | As is | in stock |
| P-1274434071 | N/A | As is | in stock |
| P-489228412 | 97 | As is | in stock |
| P-596986761 | 97 | As is | 5 g |
| P-1275497526 | 95 | As is | 500 mg |
| P-864197425 | 95 | As is | in stock |
| P-1263600986 | 95 | As is | by synthesis |
| P-868611223 | 97 | As is | in stock |
| P-863615753 | 98 | As is | by synthesis |
| P-869382682 | 96 | As is | in stock |
| P-869096099 | 95 | As is | in stock |
| P-1274334825 | 95 | As is | unavailable |
| P-892270684 | 95 | As is | 96 mg |
| P-892348628 | 95 | As is | 96 mg |
| P-1268872592 | N/A | As a main component | by synthesis |
| P-869257254 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893223297 | 95 | As a main component | in stock |
| P-854959352 | 90 | As a main component | in stock |
| P-612882810 | 95 | As an isomer | by synthesis |
| P-890037172 | 95 | As an isomer | by synthesis |
| P-874619500 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-903324648 | 95 | As an isomer | 200 mg |
| P-1264057796 | 99 | As an isomer | in stock |
| P-893585999 | 90 | As an isomer | 440 mg |
| P-596934721 | 95 | As an isomer | 440 mg |
| P-1274806081 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864310356 | 95 | As an isomer | by synthesis |
| P-1273134639 | 95 | As an isomer | 440 mg |
| P-596572313 | 97 | As an isomer | 25 g |
| P-596572319 | 97 | As an isomer | 5 g |
| P-596565815 | 95 | As an isomer | 100 mg |
| P-870640444 | 97 | As an isomer | 100 mg |
| P-870640445 | 97 | As an isomer | 100 mg |
| P-1274585650 | 95 | As an isomer | in stock |
| P-885549729 | 95 | As an isomer | by synthesis |
| P-33398779 | 90 | As an isomer | in stock |
| P-906901044 | 97 | As an isomer | in stock |
| P-906759979 | 97 | As an isomer | by synthesis |
| P-615413525 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 132.071 |
| logP | -1.077 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 87.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 23.8566 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 4 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
