Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4231064570-0
Structure
Show compound
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 | 38 USD | 95 | 14 working days | Get Quote |
| 5 mg | 38 USD | 95 | 14 working days | Get Quote |
| 10 mg | 38 USD | 95 | 14 working days | Get Quote |
- 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-4231064570-0.sdf |
| SMILES | MCULE-4231064570-0.smiles |
| Standard InChI | MCULE-4231064570-0.inchi |
| InChIKey | MCULE-4231064570-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872829726 | 95 | As is | in stock |
| P-875785190 | 95 | As is | in stock |
| P-869292403 | 95 | As is | by resynthesis (? - ? days) |
| P-903133635 | 95 | As is | 15 g |
| P-893516129 | 90 | As is | 55.05 g |
| P-1270375360 | 95 | As is | in stock |
| P-867720348 | N/A | As is | in stock |
| P-900246467 | 95 | As is | 15 g |
| P-1273387436 | 95 | As is | by resynthesis (? - ? days) |
| P-869384523 | 95 | As is | in stock |
| P-863650965 | 95 | As is | 250 mg |
| P-901530037 | 95 | As is | by synthesis |
| P-896633214 | 95 | As is | by synthesis |
| P-868624591 | 96 | As is | in stock |
| P-580381058 | N/A | As is | by resynthesis (? - ? days) |
| P-901403881 | 95 | As is | 24.75 g |
| P-1274984210 | 95 | As is | in stock |
| P-906812428 | 98 | As is | by synthesis |
| P-906855436 | 95 | As is | by synthesis |
| P-906838783 | 97 | As is | by synthesis |
| P-906814751 | 97 | As is | by synthesis |
| P-906755894 | 99 | As is | by synthesis |
| P-906821823 | 96 | As is | by synthesis |
| P-906798912 | 95 | As is | by synthesis |
| P-906837060 | 95 | As is | by synthesis |
| P-906756040 | 99 | As is | by synthesis |
| P-906763341 | 95 | As is | by synthesis |
| P-906873165 | 95 | As is | by synthesis |
| P-906801238 | 98 | As is | by synthesis |
| P-906818657 | 95 | As is | by synthesis |
| P-906806254 | 98 | As is | by synthesis |
| P-906816624 | 97 | As is | by synthesis |
| P-906763377 | 98 | As is | by synthesis |
| P-906840948 | 97 | As is | by synthesis |
| P-906815606 | 95 | As is | by synthesis |
| P-906872311 | 95 | As is | by synthesis |
| P-906766841 | 95 | As is | by synthesis |
| P-906804991 | 98 | As is | by synthesis |
| P-615651582 | 95 | As is | unavailable |
| P-1271707651 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.231 |
| logP | 3.2014 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.945 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| 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 |
