Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3885962581
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.
-
MCULE-1126180349
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3885962581.sdf |
| SMILES | MCULE-3885962581.smiles |
| Standard InChI | MCULE-3885962581.inchi |
| InChIKey | MCULE-3885962581.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867580021 | 98 | As is | in stock |
| P-875739523 | 98 | As is | in stock |
| P-1275186094 | 97 | As is | in stock |
| P-1275146989 | 95 | As is | in stock |
| P-505396674 | 95 | As is | by resynthesis (? - ? days) |
| P-903069577 | 98 | As is | 200 g |
| P-580198831 | 95 | As is | 20 g |
| P-617066299 | 95 | As is | in stock |
| P-606934180 | N/A | As is | in stock |
| P-489118768 | 97 | As is | in stock |
| P-596952381 | 98 | As is | 200 g |
| P-494418792 | 95 | As is | by resynthesis (? - ? days) |
| P-864084818 | 97 | As is | in stock |
| P-889747853 | 95 | As is | 66 g |
| P-1267045130 | 95 | As is | in stock |
| P-851270445 | 95 | As is | by synthesis |
| P-868554461 | 98 | As is | in stock |
| P-861957771 | 98 | As is | 5.10468 kg |
| P-1264336299 | 98 | As is | 285 g |
| P-505530644 | 95 | As is | in stock |
| P-502528380 | 95 | As is | by synthesis |
| P-588710327 | 95 | As is | unavailable |
| P-454405852 | 90 | As is | 30.311 g |
| P-524180958 | 95 | As is | 1000 mg |
| P-18816015 | 90 | As is | 7.211 g |
| P-579612709 | 95 | As is | in stock |
| P-580514586 | 98 | As is | in stock |
| P-852437623 | 95 | As is | by synthesis |
| P-854731810 | 95 | As is | in stock |
| P-492277023 | 95 | As is | 1.1 g |
| P-12418445 | 90 | As is | 1.1 g |
| P-500372657 | 98 | As is | by synthesis |
| P-1263958953 | 90 | As is | in stock |
| P-885544033 | 95 | As is | by synthesis |
| P-870506383 | 95 | As is | 2.7781 kg |
| P-1274334321 | 95 | As is | unavailable |
| P-1274343391 | 95 | As is | 9.862 g |
| P-1274355047 | 95 | As is | 9.862 g |
| P-611392231 | 90 | As is | in stock |
| P-575297709 | 97 | As is | in stock |
| P-872830602 | 95 | As a main component | in stock |
| P-875796508 | 95 | As a main component | in stock |
| P-590365303 | 95 | As a main component | by resynthesis (? - ? days) |
| P-893503321 | 90 | As a main component | 2 g |
| P-851903106 | N/A | As a main component | by synthesis |
| P-489168511 | 97 | As a main component | in stock |
| P-868830620 | 95 | As a main component | 2 g |
| P-864114214 | 95 | As a main component | in stock |
| P-591067486 | 95 | As a main component | by synthesis |
| P-851241733 | 95 | As a main component | by synthesis |
| P-868554462 | 95 | As a main component | in stock |
| P-580421190 | 95 | As a main component | by resynthesis (? - ? days) |
| P-524168761 | 98 | As a main component | 250 mg |
| P-563401567 | 95 | As a main component | 5 g |
| P-454423710 | 95 | As a main component | 210 mg |
| P-596546980 | 95 | As a main component | 210 mg |
| P-852469973 | 95 | As a main component | by synthesis |
| P-854836368 | 95 | As a main component | by synthesis |
| P-889873019 | 95 | As a main component | by synthesis |
| P-611566760 | 90 | As a main component | in stock |
| P-1271664275 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.174 |
| logP | 0.3071 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 36.7205 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 13 |
| 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 |
