Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4611667997
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 | 5 USD | 97 | 14 working days | Get Quote |
| 5 mg | 5 USD | 97 | 14 working days | Get Quote |
| 10 mg | 5 USD | 97 | 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-4611667997.sdf |
| SMILES | MCULE-4611667997.smiles |
| Standard InChI | MCULE-4611667997.inchi |
| InChIKey | MCULE-4611667997.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584870 | 97 | As is | in stock |
| P-875743062 | N/A | As is | in stock |
| P-590403344 | 98 | As is | in stock |
| P-903073592 | 97 | As is | 50 g |
| P-1264057013 | 95 | As is | in stock |
| P-893543889 | 90 | As is | 128.88 g |
| P-901168449 | 98 | As is | in stock |
| P-580265928 | 95 | As is | by synthesis |
| P-606870913 | N/A | As is | in stock |
| P-489154654 | 97 | As is | in stock |
| P-596953665 | 97 | As is | 50 g |
| P-872727770 | 98 | As is | in stock |
| P-864114477 | 95 | As is | in stock |
| P-580721788 | 97 | As is | 151.5 g |
| P-893220858 | 95 | As is | in stock |
| P-454734551 | 90 | As is | in stock |
| P-436473841 | 95 | As is | in stock |
| P-34891249 | 90 | As is | in stock |
| P-851274119 | 95 | As is | by synthesis |
| P-868596890 | 97 | As is | in stock |
| P-580276177 | 95 | As is | by resynthesis (? - ? days) |
| P-505628363 | 95 | As is | in stock |
| P-861983077 | 97 | As is | 79.473 g |
| P-905335488 | 97 | As is | 41 g |
| P-675217166 | 95 | As is | in stock |
| P-454300457 | 90 | As is | 995 mg |
| P-579621622 | 95 | As is | 25 g |
| P-580516167 | N/A | As is | 7 g |
| P-852450003 | N/A | As is | in stock |
| P-1263154853 | 95 | As is | by synthesis |
| P-854720547 | 95 | As is | in stock |
| P-619673889 | 98 | As is | in stock |
| P-888889250 | N/A | As is | in stock |
| P-500384580 | 95 | As is | by synthesis |
| P-885547321 | 95 | As is | by synthesis |
| P-904081770 | 97 | As is | 282.5 g |
| P-869162936 | 95 | As is | by synthesis |
| P-892298786 | 95 | As is | unavailable |
| P-888658393 | 95 | As is | 152 mg |
| P-502359958 | 90 | As is | in stock |
| P-22516023 | 90 | As is | 70 mg |
| P-611495217 | 90 | As is | in stock |
| P-893947382 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 137.139 |
| logP | 1.0442 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 82.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 36.7363 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
