Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3717318507-0
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 37 USD | 95 | 17 working days | Get Quote |
| 10 mg | 37 USD | 95 | 17 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-3027579794-0
- Component type: Main
-
MCULE-5142841057-0
- Component type: Main
-
MCULE-3584157684-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3717318507-0.sdf |
| SMILES | MCULE-3717318507-0.smiles |
| Standard InChI | MCULE-3717318507-0.inchi |
| InChIKey | MCULE-3717318507-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904502149 | 95 | As is | in stock |
| P-851405782 | N/A | As is | by synthesis |
| P-500413689 | 95 | As is | by synthesis |
| P-901551078 | 95 | As is | by synthesis |
| P-895562290 | 95 | As is | by synthesis |
| P-906867839 | 97 | As is | by synthesis |
| P-892862317 | 10 | As a main component | in stock |
| P-867325486 | 95 | As a main component | by synthesis |
| P-901195652 | N/A | As a main component | by synthesis |
| P-616208063 | 98 | As a main component | in stock |
| P-894643147 | 95 | As a main component | in stock |
| P-903137387 | 98 | As a main component | 200 mg |
| P-851424796 | N/A | As a main component | by synthesis |
| P-873294211 | 98 | As a main component | 200 mg |
| P-617551905 | 95 | As a main component | by synthesis |
| P-611017602 | 95 | As a main component | by synthesis |
| P-901457696 | 95 | As a main component | by synthesis |
| P-901458491 | 95 | As a main component | by synthesis |
| P-901534665 | 95 | As a main component | by synthesis |
| P-579803385 | 90 | As a main component | in stock |
| P-580089455 | 95 | As a main component | 4.97 g |
| P-608220726 | 98 | As a main component | in stock |
| P-870652798 | N/A | As a main component | in stock |
| P-505498240 | 95 | As a main component | in stock |
| P-870568942 | 90 | As a main component | in stock |
| P-870580128 | 95 | As a main component | in stock |
| P-488546270 | 90 | As a main component | in stock |
| P-24244755 | 95 | As a main component | 300 mg |
| P-899785928 | 97 | As a main component | 100 mg |
| P-899782646 | 97 | As a main component | 100 mg |
| P-474025617 | 95 | As a main component | in stock |
| P-620221329 | 95 | As a main component | 4.97 g |
| P-454366078 | 92 | As a main component | in stock |
| P-675098963 | 90 | As a main component | in stock |
| P-906757870 | 98 | As a main component | by synthesis |
| P-617777266 | 90 | As a main component | 1.003 g |
| P-617715643 | 90 | As a main component | 1.003 g |
| P-893745106 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 329.364 |
| logP | 3.6553 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 39.72 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 92.0797 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
