Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1087172181-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 56 USD | 95 | 7 working days | Get Quote |
| 10 mg | 84 USD | 95 | 7 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-1087172181-0.sdf |
| SMILES | MCULE-1087172181-0.smiles |
| Standard InChI | MCULE-1087172181-0.inchi |
| InChIKey | MCULE-1087172181-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875857724 | N/A | As is | in stock |
| P-903311097 | 99 | As is | 300 mg |
| P-666964368 | 99 | As is | 243 mg |
| P-851314951 | 95 | As is | by synthesis |
| P-887189024 | 95 | As is | by synthesis |
| P-579482170 | 95 | As is | in stock |
| P-1275598799 | 95 | As is | by synthesis |
| P-869095978 | 95 | As is | in stock |
| P-584621284 | 95 | As is | in stock |
| P-608271777 | 98 | As is | in stock |
| P-867679738 | N/A | As an isomer | in stock |
| P-869269347 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-901328951 | 98 | As an isomer | in stock |
| P-1264052999 | 99 | As an isomer | in stock |
| P-893618629 | 90 | As an isomer | 3.135 g |
| P-1270384609 | 99 | As an isomer | in stock |
| P-851952795 | N/A | As an isomer | in stock |
| P-865932159 | 99 | As an isomer | 250 mg |
| P-1273266771 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1273297340 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889584337 | 95 | As an isomer | in stock |
| P-901532694 | 95 | As an isomer | by synthesis |
| P-860800334 | 98 | As an isomer | in stock |
| P-868078549 | 95 | As an isomer | in stock |
| P-855956946 | 97 | As an isomer | 5 mg |
| P-892298289 | 95 | As an isomer | unavailable |
| P-869162688 | 95 | As an isomer | 50 mg |
| P-888658044 | 95 | As an isomer | 50 mg |
| P-611510662 | 90 | As an isomer | in stock |
| P-1271707363 | 99 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 345.390 |
| logP | 4.9387 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.4352 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
