Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3041792060
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-3041792060.sdf |
| SMILES | MCULE-3041792060.smiles |
| Standard InChI | MCULE-3041792060.inchi |
| InChIKey | MCULE-3041792060.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905486016 | 98 | As is | 100 g |
| P-489187423 | 97 | As is | in stock |
| P-489106144 | 97 | As is | in stock |
| P-580718667 | 98 | As is | 1.675 kg |
| P-905499376 | N/A | As is | in stock |
| P-868649205 | 98 | As is | in stock |
| P-861976577 | 97 | As is | 2.46674 kg |
| P-905361502 | 97 | As is | 270 g |
| P-1273146190 | 97 | As is | 312.6 g |
| P-493677426 | N/A | As is | in stock |
| P-579613947 | 98 | As is | in stock |
| P-852457742 | N/A | As is | by synthesis |
| P-854691354 | 95 | As is | in stock |
| P-1275010815 | 95 | As is | in stock |
| P-878644900 | 98 | As is | in stock |
| P-888850361 | N/A | As is | in stock |
| P-867586489 | 98 | As an isomer | in stock |
| P-875745207 | 98 | As an isomer | in stock |
| P-1275144907 | 95 | As an isomer | in stock |
| P-1275177463 | 98 | As an isomer | in stock |
| P-903075467 | 98 | As an isomer | 3 kg |
| P-1270334856 | 97 | As an isomer | in stock |
| P-580238254 | 95 | As an isomer | by synthesis |
| P-606894089 | N/A | As an isomer | in stock |
| P-489199211 | 97 | As an isomer | in stock |
| P-596954400 | 98 | As an isomer | 2 kg |
| P-1273456881 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-584630372 | 97 | As an isomer | 2.2 kg |
| P-901460290 | 95 | As an isomer | by synthesis |
| P-34883976 | 90 | As an isomer | in stock |
| P-868600955 | 98 | As an isomer | in stock |
| P-881675342 | N/A | As an isomer | by resynthesis (? - ? days) |
| P-1275223149 | 95 | As an isomer | 675 g |
| P-861988672 | 95 | As an isomer | 3.40221 kg |
| P-608220535 | 98 | As an isomer | in stock |
| P-608220279 | 99 | As an isomer | in stock |
| P-500417702 | N/A | As an isomer | in stock |
| P-608220536 | 98 | As an isomer | in stock |
| P-505537613 | 95 | As an isomer | in stock |
| P-502533027 | 95 | As an isomer | by synthesis |
| P-492241932 | 95 | As an isomer | in stock |
| P-524163222 | 98 | As an isomer | 100 g |
| P-856009099 | 98 | As an isomer | 100 mg |
| P-608081196 | 98 | As an isomer | in stock |
| P-608081197 | 98 | As an isomer | in stock |
| P-856040077 | 90 | As an isomer | unavailable |
| P-31248891 | 90 | As an isomer | unavailable |
| P-613282142 | 95 | As an isomer | by synthesis |
| P-852444052 | 95 | As an isomer | by synthesis |
| P-904720982 | 90 | As an isomer | in stock |
| P-854692605 | 95 | As an isomer | in stock |
| P-902979638 | 95 | As an isomer | by synthesis |
| P-608280045 | 98 | As an isomer | in stock |
| P-619672526 | 98 | As an isomer | in stock |
| P-492281513 | 90 | As an isomer | 5 g |
| P-500397486 | 98 | As an isomer | by synthesis |
| P-885519766 | 95 | As an isomer | by synthesis |
| P-869177204 | 95 | As an isomer | in stock |
| P-594273688 | 95 | As an isomer | 1.001 g |
| P-892295294 | 95 | As an isomer | 1.001 g |
| P-892337692 | 95 | As an isomer | 1.001 g |
| P-33163027 | 90 | As an isomer | 1000 mg |
| P-906770742 | 98 | As an isomer | by synthesis |
| P-906770743 | 99 | As an isomer | by synthesis |
| P-906775930 | 99 | As an isomer | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 131.173 |
| logP | 1.1447 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 35.4352 |
| Atoms | 22 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
