E882-0461 Screening compound: ethyl 4-[3,4-dioxo-2-(2,4,5-trimethylphenyl)-1-cyclobutenyl]tetrahydro-1(2H)-pyrazinecarboxylate

E882-0461 Screening compound: ethyl 4-[3,4-dioxo-2-(2,4,5-trimethylphenyl)-1-cyclobutenyl]tetrahydro-1(2H)-pyrazinecarboxylate
E882-0461 Screening compound: ethyl 4-[3,4-dioxo-2-(2,4,5-trimethylphenyl)-1-cyclobutenyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-0461
ethyl 4-[3,4-dioxo-2-(2,4,5-trimethylphenyl)-1-cyclobutenyl]tetrahydro-1(2H)-pyrazinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E882-0461

Molecular Formula

C20H24N2O4 (C20 H24 N2 O4)

Compound Name

ethyl 4-[3,4-dioxo-2-(2,4,5-trimethylphenyl)-1-cyclobutenyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-[34-dioxo-2-(245-trimethylphenyl)cyclobut-1-en-1-yl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C1=O)=O)=C1c1c(C)cc(C)c(C)c1)=O

InChI

InChI=1S/C20H24N2O4/c1-5-26-20(25)22-8-6-21(7-9-22)17-16(18(23)19(17)24)15-11-13(3)12(2)10-14(15)4/h10-11H,5-9H2,1-4H3

InChI Key

DYUSTEBWPNYSPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.918

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-3.81

Polar Surface Area

52.934

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E882-0461 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E882-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-0461?
Check Price and Availability of E882-0461, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E882-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-0461
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E882-0461 available by request