Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2653249691-0
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 | 31 USD | 95 | 7 working days | Get Quote |
| 5 mg | 43 USD | 98 | 16 working days | Get Quote |
| 10 mg | 81 USD | 98 | 16 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-6706072722-0
- Component type: Main
-
MCULE-3154532898-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2653249691-0.sdf |
| SMILES | MCULE-2653249691-0.smiles |
| Standard InChI | MCULE-2653249691-0.inchi |
| InChIKey | MCULE-2653249691-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867677517 | 98 | As is | in stock |
| P-875854857 | 98 | As is | in stock |
| P-869237451 | 95 | As is | by resynthesis (? - ? days) |
| P-903294772 | N/A | As is | 100 mg |
| P-851502903 | N/A | As is | by synthesis |
| P-895105496 | N/A | As is | 100 mg |
| P-1273294004 | 95 | As is | by resynthesis (? - ? days) |
| P-864274458 | 95 | As is | by synthesis |
| P-619591925 | 98 | As is | by synthesis |
| P-901425803 | 95 | As is | by synthesis |
| P-887187455 | 95 | As is | by synthesis |
| P-579482585 | 95 | As is | in stock |
| P-873244371 | 97 | As is | 5 mg |
| P-863724790 | 95 | As is | in stock |
| P-608278746 | 98 | As is | in stock |
| P-1274334255 | 95 | As is | unavailable |
| P-575331159 | 95 | As is | 8 mg |
| P-888656196 | 95 | As is | 8 mg |
| P-906855427 | 99 | As is | by synthesis |
| P-868524972 | 98 | As is | in stock |
| P-867678317 | N/A | As a main component | in stock |
| P-892898561 | N/A | As a main component | in stock |
| P-875855681 | N/A | As a main component | in stock |
| P-1265983111 | 98 | As a main component | in stock |
| P-903000269 | 98 | As a main component | by resynthesis (? - ? days) |
| P-893610331 | 90 | As a main component | 6 g |
| P-893589669 | 90 | As a main component | 5.699 g |
| P-1270297772 | 98 | As a main component | in stock |
| P-899962941 | N/A | As a main component | in stock |
| P-851517750 | N/A | As a main component | by synthesis |
| P-895105604 | N/A | As a main component | 100 mg |
| P-895116425 | N/A | As a main component | 500 mg |
| P-1273284686 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1273262410 | 95 | As a main component | by resynthesis (? - ? days) |
| P-904979756 | 95 | As a main component | by synthesis |
| P-901922195 | 98 | As a main component | 359 mg |
| P-590790241 | 98 | As a main component | by synthesis |
| P-1263260195 | 95 | As a main component | by synthesis |
| P-888623106 | 95 | As a main component | 1 mg |
| P-888624634 | 95 | As a main component | 5 mg |
| P-904059886 | 95 | As a main component | by synthesis |
| P-895189261 | 95 | As a main component | by synthesis |
| P-608278616 | 98 | As a main component | in stock |
| P-888174838 | 98 | As a main component | by synthesis |
| P-892300568 | 95 | As a main component | unavailable |
| P-892295009 | 95 | As a main component | unavailable |
| P-869164631 | 95 | As a main component | 51 mg |
| P-575331213 | 95 | As a main component | 50 mg |
| P-888659753 | 95 | As a main component | 51 mg |
| P-888656235 | 95 | As a main component | 50 mg |
| P-611498667 | 90 | As a main component | in stock |
| P-1271696638 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 340.304 |
| logP | 3.2551 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 118.95 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 81.4927 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
