Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3423078267
Compound
Show structures
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 | 13 USD | 95 | 12 working days | Get Quote |
| 5 mg | 13 USD | 95 | 12 working days | Get Quote |
| 10 mg | 13 USD | 95 | 12 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.
-
MCULE-2679865475
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3423078267.sdf |
| SMILES | MCULE-3423078267.smiles |
| Standard InChI | MCULE-3423078267.inchi |
| InChIKey | MCULE-3423078267.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489132496 | 97 | As is | in stock |
| P-580695532 | 98 | As is | 575 g |
| P-505576462 | 95 | As is | in stock |
| P-851278414 | 95 | As is | by synthesis |
| P-868580655 | 97 | As is | in stock |
| P-579476771 | 95 | As is | in stock |
| P-901373465 | 95 | As is | 199 g |
| P-862020309 | 95 | As is | 967.731 g |
| P-905343091 | 95 | As is | 415 g |
| P-865621231 | 95 | As is | in stock |
| P-899991323 | 95 | As is | by synthesis |
| P-584613976 | 95 | As is | in stock |
| P-608278107 | 98 | As is | in stock |
| P-1263956483 | 90 | As is | in stock |
| P-579711029 | 98 | As is | in stock |
| P-895623360 | 95 | As a main component | by synthesis |
| P-1268923401 | 95 | As an isomer | by synthesis |
| P-874614153 | 97 | As an isomer | by resynthesis (? - ? days) |
| P-872724484 | 98 | As an isomer | in stock |
| P-1264050644 | 98 | As an isomer | in stock |
| P-870025514 | 90 | As an isomer | 1000 mg |
| P-596515120 | 90 | As an isomer | 1000 mg |
| P-870646065 | 95 | As an isomer | in stock |
| P-31131762 | 90 | As an isomer | unavailable |
| P-885517150 | 95 | As an isomer | by synthesis |
| P-19553850 | 90 | As an isomer | in stock |
| P-873213219 | 90 | As an isomer | in stock |
| P-873033480 | 90 | As an isomer | 966 mg |
| P-906780843 | 98 | As an isomer | by synthesis |
| P-1096952 | 90 | As an isomer | 3.148 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.280 |
| logP | -0.2312 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 135.23 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.8482 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
