Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2853900518
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 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-2853900518.sdf |
| SMILES | MCULE-2853900518.smiles |
| Standard InChI | MCULE-2853900518.inchi |
| InChIKey | MCULE-2853900518.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564299 | 97 | As is | in stock |
| P-875723284 | 97 | As is | in stock |
| P-597016222 | 98 | As is | unavailable |
| P-1275151428 | 95 | As is | in stock |
| P-1275185380 | 98 | As is | in stock |
| P-903052678 | 98 | As is | 2 kg |
| P-1270401933 | 98 | As is | in stock |
| P-580198312 | 95 | As is | 110.5 g |
| P-617068816 | 98 | As is | in stock |
| P-606906346 | N/A | As is | in stock |
| P-489190805 | 97 | As is | in stock |
| P-596928526 | 98 | As is | 10 kg |
| P-494345302 | 95 | As is | 302.44 g |
| P-864106167 | 95 | As is | in stock |
| P-580723862 | 98 | As is | 2.985 kg |
| P-893255642 | 95 | As is | by synthesis |
| P-454618925 | 90 | As is | in stock |
| P-436452325 | 95 | As is | in stock |
| P-851258640 | 95 | As is | by synthesis |
| P-868556926 | 97 | As is | in stock |
| P-580408108 | 95 | As is | by resynthesis (? - ? days) |
| P-905329176 | 98 | As is | 475 g |
| P-861926707 | 98 | As is | 25.5383 kg |
| P-889110745 | 98 | As is | 1.5743 kg |
| P-608220382 | 96 | As is | in stock |
| P-590342510 | 90 | As is | 2 g |
| P-890219703 | 90 | As is | in stock |
| P-502445587 | 95 | As is | by synthesis |
| P-492238344 | 95 | As is | in stock |
| P-454391068 | 95 | As is | 84.789 g |
| P-454295995 | 95 | As is | 72.729 g |
| P-579613508 | 95 | As is | in stock |
| P-613281936 | 95 | As is | by synthesis |
| P-580513292 | 97 | As is | in stock |
| P-852377798 | N/A | As is | by synthesis |
| P-1272562043 | N/A | As is | in stock |
| P-855401971 | 95 | As is | in stock |
| P-888882597 | N/A | As is | in stock |
| P-500382662 | 98 | As is | by synthesis |
| P-859995819 | 95 | As is | by synthesis |
| P-896078055 | N/A | As is | 13.967 g |
| P-498695939 | 97 | As is | 4.8915 kg |
| P-502329466 | 90 | As is | in stock |
| P-903669289 | 94 | As is | by resynthesis (? - ? days) |
| P-906779913 | 99 | As is | by synthesis |
| P-611365149 | 90 | As is | in stock |
| P-480963231 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 149.942 |
| logP | -0.8211 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.6551 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| 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 |
