Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8716705127
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.
|
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 36 USD | 95 | 22 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-1402837319
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8716705127.sdf |
| SMILES | MCULE-8716705127.smiles |
| Standard InChI | MCULE-8716705127.inchi |
| InChIKey | MCULE-8716705127.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852066899 | 95 | As is | by synthesis |
| P-901182181 | N/A | As is | by synthesis |
| P-613852511 | 95 | As is | in stock |
| P-903011932 | 97 | As is | 5 g |
| P-893542026 | 90 | As is | 74 g |
| P-851711594 | N/A | As is | by synthesis |
| P-892186903 | 97 | As is | 10 g |
| P-889458740 | 95 | As is | by synthesis |
| P-590904237 | 95 | As is | by synthesis |
| P-492250575 | 95 | As is | in stock |
| P-4140845 | 90 | As is | 100 mg |
| P-577179342 | 90 | As is | by synthesis |
| P-584553355 | 90 | As is | 3 mg |
| P-163910 | 90 | As is | unavailable |
| P-517109982 | 90 | As is | in stock |
| P-861429336 | 95 | As is | by synthesis |
| P-569184787 | 90 | As is | in stock |
| P-569433342 | 95 | As is | 1.18 g |
| P-502448807 | 95 | As is | by synthesis |
| P-580036456 | 90 | As is | in stock |
| P-580005063 | 95 | As is | in stock |
| P-18789052 | 95 | As is | 18.632 g |
| P-454376601 | 95 | As is | 18.632 g |
| P-852411905 | N/A | As is | in stock |
| P-854906487 | 95 | As is | by synthesis |
| P-34052097 | 90 | As is | 1.18 g |
| P-620233798 | 95 | As is | 1.18 g |
| P-856070063 | 95 | As is | in stock |
| P-19355038 | 90 | As is | in stock |
| P-502397243 | 90 | As is | in stock |
| P-907300718 | 90 | As is | 90 mg |
| P-1812484 | 90 | As is | 9 mg |
| P-893640793 | 95 | As is | by synthesis |
| P-855958225 | 97 | As a main component | 250 mg |
| P-855960675 | 97 | As a main component | 250 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.242 |
| logP | 2.4238 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.2742 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
