Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2069871168
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2069871168.sdf |
| SMILES | MCULE-2069871168.smiles |
| Standard InChI | MCULE-2069871168.inchi |
| InChIKey | MCULE-2069871168.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892979506 | N/A | As is | by synthesis |
| P-867563736 | 98 | As is | in stock |
| P-867412583 | N/A | As is | by synthesis |
| P-535627289 | 95 | As is | in stock |
| P-505348063 | 98 | As is | in stock |
| P-869328621 | 99 | As is | in stock |
| P-905479887 | 98 | As is | 1000 mg |
| P-893591741 | 90 | As is | 103 mg |
| P-893337569 | 95 | As is | by synthesis |
| P-851594344 | N/A | As is | by synthesis |
| P-606944201 | N/A | As is | in stock |
| P-596928271 | 98 | As is | 10 kg |
| P-580196057 | 98 | As is | in stock |
| P-494305570 | 95 | As is | unavailable |
| P-864142006 | 98 | As is | in stock |
| P-1263485902 | 95 | As is | by synthesis |
| P-893225234 | 95 | As is | in stock |
| P-674234731 | 90 | As is | 74 mg |
| P-675051021 | 90 | As is | in stock |
| P-34909543 | 90 | As is | in stock |
| P-34808050 | 90 | As is | in stock |
| P-580276226 | 95 | As is | by resynthesis (? - ? days) |
| P-905340936 | 95 | As is | 1.845 kg |
| P-862011317 | 95 | As is | 23.9319 kg |
| P-608220093 | 98 | As is | in stock |
| P-505491431 | 95 | As is | in stock |
| P-502765662 | 90 | As is | in stock |
| P-492221053 | 95 | As is | in stock |
| P-488555637 | 92 | As is | in stock |
| P-488544412 | 90 | As is | in stock |
| P-856009180 | 98 | As is | 100 mg |
| P-31162399 | 90 | As is | unavailable |
| P-613276338 | 95 | As is | by synthesis |
| P-860790554 | N/A | As is | by synthesis |
| P-881191942 | 90 | As is | 50 mg |
| P-454364036 | 92 | As is | in stock |
| P-13429679 | 92 | As is | 300 mg |
| P-885524203 | 95 | As is | by synthesis |
| P-19202689 | 90 | As is | in stock |
| P-579710811 | N/A | As is | in stock |
| P-516411725 | 80 | As is | 1.124 g |
| P-892236200 | 95 | As is | by synthesis |
| P-892276785 | 95 | As is | by synthesis |
| P-869176182 | 95 | As is | in stock |
| P-892304665 | 95 | As is | in stock |
| P-892292604 | 95 | As is | 950 mg |
| P-892352885 | 95 | As is | 10.046 g |
| P-892326897 | 95 | As is | 950 mg |
| P-502330892 | 90 | As is | in stock |
| P-33162697 | 90 | As is | 1000 mg |
| P-906770818 | 98 | As is | by synthesis |
| P-611369784 | 90 | As is | in stock |
| P-3229012 | 90 | As is | 1.129 g |
| P-1248447 | 90 | As is | 1.129 g |
| P-893983334 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.157 |
| logP | 1.1956 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.1578 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
