Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9113509889
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 | 25 USD | 99 | 8 working days | Get Quote |
| 5 mg | 25 USD | 99 | 8 working days | Get Quote |
| 10 mg | 25 USD | 99 | 8 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-9113509889.sdf |
| SMILES | MCULE-9113509889.smiles |
| Standard InChI | MCULE-9113509889.inchi |
| InChIKey | MCULE-9113509889.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875812483 | 98 | As is | in stock |
| P-590413139 | 95 | As is | by resynthesis (? - ? days) |
| P-903171490 | 98 | As is | 75 g |
| P-893618680 | 90 | As is | 6 g |
| P-1270299464 | 99 | As is | in stock |
| P-867719686 | N/A | As is | in stock |
| P-596990067 | 99 | As is | 5 g |
| P-1273269871 | 95 | As is | by resynthesis (? - ? days) |
| P-864266586 | 98 | As is | by synthesis |
| P-862400469 | 99 | As is | 250 mg |
| P-868618178 | 95 | As is | in stock |
| P-580303435 | 95 | As is | by resynthesis (? - ? days) |
| P-889300424 | 98 | As is | 5 g |
| P-13915785 | 92 | As is | 300 mg |
| P-596562946 | 97 | As is | 5 g |
| P-35213580 | 90 | As is | in stock |
| P-863741759 | 95 | As is | in stock |
| P-904066819 | 95 | As is | by synthesis |
| P-888172424 | 98 | As is | by synthesis |
| P-13274472 | 92 | As is | 300 mg |
| P-885533501 | 95 | As is | by synthesis |
| P-605215395 | 90 | As is | in stock |
| P-869178399 | 95 | As is | in stock |
| P-892274552 | 95 | As is | 405 mg |
| P-892299381 | 95 | As is | 405 mg |
| P-892350961 | 95 | As is | 405 mg |
| P-855344366 | 90 | As is | in stock |
| P-578080426 | 90 | As is | 113 mg |
| P-1271711676 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 252.263 |
| logP | 3.4686 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 39.44 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 74.412 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| 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 |
