Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2115823042
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 |
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-2115823042.sdf |
| SMILES | MCULE-2115823042.smiles |
| Standard InChI | MCULE-2115823042.inchi |
| InChIKey | MCULE-2115823042.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867556558 | 97 | As is | in stock |
| P-875715967 | N/A | As is | in stock |
| P-597016173 | 97 | As is | in stock |
| P-869192953 | 98 | As is | in stock |
| P-505390466 | 99 | As is | in stock |
| P-903043649 | 98 | As is | 2 kg |
| P-907315213 | 95 | As is | by synthesis |
| P-606860809 | N/A | As is | in stock |
| P-489119402 | 97 | As is | in stock |
| P-596927334 | 98 | As is | 50 kg |
| P-494319657 | 95 | As is | 117.5 g |
| P-864117001 | 95 | As is | in stock |
| P-889739956 | 95 | As is | 3 g |
| P-580728897 | 97 | As is | 665 g |
| P-851275745 | 95 | As is | by synthesis |
| P-861280846 | 97 | As is | in stock |
| P-868555467 | 98 | As is | in stock |
| P-580419538 | 95 | As is | by resynthesis (? - ? days) |
| P-861918473 | 99 | As is | 3.32356 kg |
| P-896530759 | 99 | As is | 122 g |
| P-905327765 | 99 | As is | 650 g |
| P-870656962 | N/A | As is | in stock |
| P-890218809 | 90 | As is | in stock |
| P-590341239 | 90 | As is | 20 g |
| P-505500062 | 95 | As is | in stock |
| P-454331048 | 90 | As is | 100 mg |
| P-856079393 | 95 | As is | by resynthesis (? - ? days) |
| P-613281979 | 95 | As is | by synthesis |
| P-580468245 | 97 | As is | by synthesis |
| P-852376939 | N/A | As is | in stock |
| P-904721556 | 90 | As is | in stock |
| P-855402483 | 95 | As is | in stock |
| P-500400264 | 98 | As is | by synthesis |
| P-500405414 | N/A | As is | by synthesis |
| P-885548417 | 95 | As is | by synthesis |
| P-519886419 | 90 | As is | in stock |
| P-596759941 | 95 | As is | 2.28 kg |
| P-502329494 | 90 | As is | in stock |
| P-906765951 | 98 | As is | by synthesis |
| P-611370505 | 90 | As is | in stock |
| P-667019363 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 145.560 |
| logP | 2.6425 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 35.8144 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
