Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1892594675
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 | 6 USD | 95 | 22 working days | Get Quote |
| 5 mg | 6 USD | 95 | 22 working days | Get Quote |
| 10 mg | 6 USD | 95 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-1892594675.sdf |
| SMILES | MCULE-1892594675.smiles |
| Standard InChI | MCULE-1892594675.inchi |
| InChIKey | MCULE-1892594675.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867574316 | 95 | As is | in stock |
| P-875734231 | N/A | As is | in stock |
| P-505347065 | 99 | As is | in stock |
| P-903064085 | 95 | As is | 500 g |
| P-905485295 | 95 | As is | 10 g |
| P-606927305 | N/A | As is | in stock |
| P-489227677 | 97 | As is | in stock |
| P-596950432 | 95 | As is | 325 g |
| P-589660224 | 95 | As is | by resynthesis (? - ? days) |
| P-864184108 | 95 | As is | in stock |
| P-584629215 | 95 | As is | 236.25 g |
| P-851282230 | 95 | As is | by synthesis |
| P-868609388 | 95 | As is | in stock |
| P-580327717 | 95 | As is | by resynthesis (? - ? days) |
| P-905351455 | 95 | As is | 105 g |
| P-862092083 | 95 | As is | 750.821 g |
| P-524161407 | 98 | As is | 25 g |
| P-856005463 | 98 | As is | 100 mg |
| P-865619966 | 95 | As is | in stock |
| P-596774843 | 95 | As is | 262.5 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.237 |
| logP | 2.4634 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 17.82 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.524 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
