Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1126747714
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-9482476400
- Component type: Main
-
MCULE-9228969684
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1126747714.sdf |
| SMILES | MCULE-1126747714.smiles |
| Standard InChI | MCULE-1126747714.inchi |
| InChIKey | MCULE-1126747714.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875747967 | N/A | As is | in stock |
| P-869195020 | 97 | As is | in stock |
| P-590400446 | 99 | As is | in stock |
| P-489138251 | 97 | As is | in stock |
| P-864240532 | 95 | As is | by synthesis |
| P-893231392 | 95 | As is | in stock |
| P-578050340 | 98 | As is | in stock |
| P-868596479 | 98 | As is | in stock |
| P-580426735 | 95 | As is | by resynthesis (? - ? days) |
| P-889115003 | N/A | As is | 10 g |
| P-590341445 | 90 | As is | 1.5 g |
| P-854062896 | 90 | As is | in stock |
| P-563572184 | 95 | As is | 500 g |
| P-31273860 | 90 | As is | 10 g |
| P-856039609 | 90 | As is | 10 g |
| P-613276717 | 95 | As is | by synthesis |
| P-580489499 | N/A | As is | by synthesis |
| P-852605397 | N/A | As is | in stock |
| P-901177015 | 90 | As is | 50 mg |
| P-868099538 | 92 | As is | in stock |
| P-859995248 | 95 | As is | by synthesis |
| P-502368081 | 90 | As is | in stock |
| P-611449595 | 90 | As is | in stock |
| P-904029574 | N/A | As a main component | by synthesis |
| P-905562685 | 98 | As a main component | by synthesis |
| P-899782160 | 97 | As a main component | 1000 mg |
| P-899784391 | 97 | As a main component | 1000 mg |
| P-906887209 | N/A | As a main component | by synthesis |
| P-906887219 | 99 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.217 |
| logP | 2.6158 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 38.4704 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 17 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
