Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2240049283
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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-2240049283.sdf |
| SMILES | MCULE-2240049283.smiles |
| Standard InChI | MCULE-2240049283.inchi |
| InChIKey | MCULE-2240049283.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875694798 | 98 | As is | in stock |
| P-875748840 | 98 | As is | in stock |
| P-903016523 | 99 | As is | 400 g |
| P-489211145 | 97 | As is | in stock |
| P-851262665 | 95 | As is | by synthesis |
| P-868644420 | 98 | As is | in stock |
| P-608083906 | 95 | As is | in stock |
| P-579634917 | 97 | As is | by resynthesis (? - ? days) |
| P-579687144 | 98 | As is | by resynthesis (? - ? days) |
| P-852496739 | 95 | As is | by synthesis |
| P-867538988 | 98 | As an isomer | in stock |
| P-867589432 | 98 | As an isomer | in stock |
| P-1275195974 | 98 | As an isomer | in stock |
| P-606893159 | N/A | As an isomer | in stock |
| P-851950028 | N/A | As an isomer | in stock |
| P-1263858734 | N/A | As an isomer | by synthesis |
| P-868837783 | 97 | As an isomer | 100 g |
| P-596984538 | 98 | As an isomer | 200 g |
| P-1273459278 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-552047985 | 95 | As an isomer | 9.2 g |
| P-494346726 | 95 | As an isomer | 342 g |
| P-1268619521 | 95 | As an isomer | by synthesis |
| P-889773049 | 95 | As an isomer | in stock |
| P-580304331 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-862023701 | 95 | As an isomer | 100 g |
| P-1264379954 | 95 | As an isomer | 4 g |
| P-888314325 | N/A | As an isomer | in stock |
| P-492241940 | 95 | As an isomer | in stock |
| P-13281590 | 92 | As an isomer | 269 mg |
| P-454385983 | 97 | As an isomer | 2.622 g |
| P-18813191 | 97 | As an isomer | 2.622 g |
| P-613282243 | 95 | As an isomer | by synthesis |
| P-580460228 | N/A | As an isomer | by synthesis |
| P-1275896573 | 95 | As an isomer | by synthesis |
| P-500410850 | 98 | As an isomer | by synthesis |
| P-19472664 | 90 | As an isomer | in stock |
| P-896079405 | N/A | As an isomer | 2.273 g |
| P-502329655 | 90 | As an isomer | in stock |
| P-906905804 | 98 | As an isomer | in stock |
| P-906752977 | 99 | As an isomer | by synthesis |
| P-611384591 | 90 | As an isomer | in stock |
| P-611502803 | 90 | As an isomer | in stock |
| P-611384551 | 90 | As an isomer | in stock |
| P-893943186 | 97 | As an isomer | in stock |
| P-868531323 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 122.125 |
| logP | 0.8897 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 45.48 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.6175 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
