Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3885102280
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 | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3885102280.sdf |
| SMILES | MCULE-3885102280.smiles |
| Standard InChI | MCULE-3885102280.inchi |
| InChIKey | MCULE-3885102280.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867589076 | 95 | As is | in stock |
| P-875748112 | N/A | As is | in stock |
| P-869194853 | 95 | As is | in stock |
| P-505391200 | 98 | As is | in stock |
| P-903079294 | 95 | As is | 4 kg |
| P-580239219 | 95 | As is | by synthesis |
| P-851945266 | N/A | As is | in stock |
| P-596931772 | 95 | As is | 18.5 kg |
| P-866721839 | 95 | As is | by resynthesis (? - ? days) |
| P-864187571 | 98 | As is | in stock |
| P-481174401 | 95 | As is | 3.132 kg |
| P-893259688 | 95 | As is | by synthesis |
| P-3286641 | 90 | As is | 729 mg |
| P-425204077 | 90 | As is | in stock |
| P-580304700 | 95 | As is | by resynthesis (? - ? days) |
| P-905339745 | 99 | As is | 110 g |
| P-862001918 | 99 | As is | 2.89446 kg |
| P-494299909 | 98 | As is | in stock |
| P-870657142 | N/A | As is | in stock |
| P-579516717 | 90 | As is | in stock |
| P-505513570 | 95 | As is | in stock |
| P-502550551 | 95 | As is | by synthesis |
| P-503472894 | 90 | As is | by synthesis |
| P-675477626 | 90 | As is | in stock |
| P-675513832 | 95 | As is | in stock |
| P-454332186 | 95 | As is | 100 mg |
| P-454408212 | 95 | As is | 500 g |
| P-31178653 | 90 | As is | unavailable |
| P-601221935 | 95 | As is | 257 mg |
| P-601074229 | 90 | As is | 257 mg |
| P-580476850 | N/A | As is | by synthesis |
| P-852453977 | N/A | As is | in stock |
| P-854741993 | 95 | As is | in stock |
| P-492276484 | 95 | As is | 1000 mg |
| P-423889600 | 90 | As is | 1000 mg |
| P-885520172 | 95 | As is | by synthesis |
| P-519798439 | 90 | As is | in stock |
| P-596789173 | 95 | As is | 4.42848 kg |
| P-502332043 | 90 | As is | in stock |
| P-23118682 | 94 | As is | by resynthesis (? - ? days) |
| P-611381398 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.167 |
| logP | 1.181 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.01 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
