Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5188100918-0
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 | 23 USD | 98 | 22 working days | Get Quote |
| 5 mg | 23 USD | 98 | 22 working days | Get Quote |
| 10 mg | 37 USD | 98 | 22 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-5188100918-0.sdf |
| SMILES | MCULE-5188100918-0.smiles |
| Standard InChI | MCULE-5188100918-0.inchi |
| InChIKey | MCULE-5188100918-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875796925 | 98 | As is | in stock |
| P-903150244 | 98 | As is | 500 mg |
| P-1264051809 | 99 | As is | in stock |
| P-887192985 | 95 | As is | by synthesis |
| P-868659916 | 95 | As is | in stock |
| P-854720093 | 95 | As is | in stock |
| P-1272503168 | 95 | As is | by synthesis |
| P-474022420 | 95 | As is | in stock |
| P-878644925 | 98 | As is | in stock |
| P-867632492 | 98 | As an isomer | in stock |
| P-886772919 | 95 | As an isomer | in stock |
| P-869351975 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-872726393 | 98 | As an isomer | in stock |
| P-893584399 | 90 | As an isomer | 11.706 g |
| P-1270322233 | 98 | As an isomer | in stock |
| P-851942769 | N/A | As an isomer | in stock |
| P-865920207 | 98 | As an isomer | 250 mg |
| P-1273455984 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889584117 | 95 | As an isomer | in stock |
| P-871212739 | 95 | As an isomer | by synthesis |
| P-901409999 | 98 | As an isomer | 500 mg |
| P-870660560 | N/A | As an isomer | in stock |
| P-524439086 | 97 | As an isomer | unavailable |
| P-1274345011 | 95 | As an isomer | unavailable |
| P-892288886 | 95 | As an isomer | unavailable |
| P-1274356189 | 95 | As an isomer | unavailable |
| P-869118685 | 95 | As an isomer | 140 mg |
| P-888633718 | 95 | As an isomer | 135 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 436.739 |
| logP | 6.5737 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 67.13 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 112.565 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
