Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3607419149
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-2069933283
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3607419149.sdf |
| SMILES | MCULE-3607419149.smiles |
| Standard InChI | MCULE-3607419149.inchi |
| InChIKey | MCULE-3607419149.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892851798 | 98 | As is | in stock |
| P-901254391 | N/A | As is | in stock |
| P-612935993 | 95 | As is | in stock |
| P-1263079450 | N/A | As is | in stock |
| P-596354452 | 90 | As is | 106 mg |
| P-596489452 | 90 | As is | 106 mg |
| P-1263354237 | 95 | As is | 1.6 g |
| P-872447191 | 90 | As is | 50 mg |
| P-861365016 | 95 | As is | by synthesis |
| P-580354831 | 95 | As is | by resynthesis (? - ? days) |
| P-905320510 | 95 | As is | in stock |
| P-855946297 | 95 | As is | 1000 mg |
| P-852386052 | N/A | As is | in stock |
| P-895633054 | 95 | As is | by synthesis |
| P-579387671 | 90 | As is | in stock |
| P-33521684 | 94 | As is | by resynthesis (? - ? days) |
| P-611424123 | 90 | As is | in stock |
| P-1889210 | 90 | As is | 50 mg |
| P-904520480 | 95 | As a main component | in stock |
| P-851524059 | N/A | As a main component | by synthesis |
| P-590790214 | 95 | As a main component | by synthesis |
| P-24168791 | 95 | As a main component | 300 mg |
| P-895571049 | 95 | As a main component | by synthesis |
| P-13438352 | 92 | As a main component | 300 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.349 |
| logP | 3.5625 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 71.4634 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 23 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
