Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1671810139
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 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-9495078126
- Component type: Main
-
MCULE-5310584661
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1671810139.sdf |
| SMILES | MCULE-1671810139.smiles |
| Standard InChI | MCULE-1671810139.inchi |
| InChIKey | MCULE-1671810139.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565687 | 99 | As is | in stock |
| P-875724736 | N/A | As is | in stock |
| P-869181253 | 95 | As is | in stock |
| P-869311449 | 99 | As is | in stock |
| P-588246965 | 98 | As is | in stock |
| P-869367157 | 95 | As is | in stock |
| P-869249648 | 95 | As is | in stock |
| P-895956543 | 95 | As is | 650 g |
| P-905471774 | 95 | As is | in stock |
| P-481170341 | 95 | As is | 147 g |
| P-901453697 | 95 | As is | by synthesis |
| P-901454517 | 95 | As is | by synthesis |
| P-881633683 | 98 | As is | in stock |
| P-868614620 | 98 | As is | in stock |
| P-580432617 | 95 | As is | by resynthesis (? - ? days) |
| P-870662935 | 98 | As is | in stock |
| P-890218845 | 90 | As is | in stock |
| P-590341277 | 90 | As is | 25 g |
| P-596603712 | 95 | As is | 100 mg |
| P-856039783 | 90 | As is | 10 g |
| P-31273937 | 90 | As is | 10 g |
| P-852451713 | N/A | As is | in stock |
| P-888171922 | 98 | As is | by synthesis |
| P-502361658 | 90 | As is | in stock |
| P-893165767 | N/A | As a main component | by synthesis |
| P-875688656 | N/A | As a main component | in stock |
| P-881661094 | 95 | As a main component | in stock |
| P-590416190 | 98 | As a main component | in stock |
| P-903008648 | 99 | As a main component | 2.5 kg |
| P-851929556 | N/A | As a main component | in stock |
| P-596981415 | 98 | As a main component | 1000 g |
| P-864192252 | 95 | As a main component | in stock |
| P-608390289 | 99 | As a main component | 160 g |
| P-868606094 | 95 | As a main component | in stock |
| P-889437771 | 99 | As a main component | 2.29971 kg |
| P-870659156 | N/A | As a main component | in stock |
| P-596567528 | 97 | As a main component | 100 g |
| P-885537437 | 95 | As a main component | by synthesis |
| P-855297931 | 90 | As a main component | in stock |
| P-615413579 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.158 |
| logP | 1.6513 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.7278 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
