Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1738396599
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 28 USD | 95 | 7 working days | Get Quote |
| 10 mg | 44 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-1738396599.sdf |
| SMILES | MCULE-1738396599.smiles |
| Standard InChI | MCULE-1738396599.inchi |
| InChIKey | MCULE-1738396599.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875711831 | N/A | As is | in stock |
| P-903038904 | 98 | As is | 100 mg |
| P-890225243 | 98 | As is | by synthesis |
| P-1275598978 | 95 | As is | by synthesis |
| P-854721641 | 95 | As is | in stock |
| P-875882311 | 95 | As is | in stock |
| P-619673391 | 98 | As is | in stock |
| P-867553312 | 98 | As an isomer | in stock |
| P-886159232 | 90 | As an isomer | by synthesis |
| P-892785720 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-893509344 | 90 | As an isomer | 7.651 g |
| P-1270390080 | 98 | As an isomer | in stock |
| P-1264201442 | N/A | As an isomer | by synthesis |
| P-865905986 | 98 | As an isomer | 100 mg |
| P-1273256848 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864193767 | 95 | As an isomer | in stock |
| P-4524014 | 90 | As an isomer | 5 mg |
| P-3721410 | 90 | As an isomer | 120 mg |
| P-34748253 | 90 | As an isomer | by synthesis |
| P-1273141417 | 98 | As an isomer | 100 mg |
| P-503197220 | 90 | As an isomer | by synthesis |
| P-855925809 | 97 | As an isomer | 5 mg |
| P-856016349 | 90 | As an isomer | 500 mg |
| P-621158811 | 90 | As an isomer | by synthesis |
| P-623735239 | 90 | As an isomer | by synthesis |
| P-873281900 | N/A | As an isomer | in stock |
| P-892296256 | 95 | As an isomer | unavailable |
| P-594274896 | 95 | As an isomer | 153 mg |
| P-888657015 | 95 | As an isomer | 153 mg |
| P-22773969 | 90 | As an isomer | in stock |
| P-3243076 | 90 | As an isomer | unavailable |
| P-1271704023 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.356 |
| logP | 2.8456 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 77.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 76.04 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
