E209-0791 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl}-N-(2,4-dimethoxyphenyl)acetamide

E209-0791 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl}-N-(2,4-dimethoxyphenyl)acetamide
E209-0791 Screening compound: 2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl}-N-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E209-0791
2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl}-N-(2,4-dimethoxyphenyl)acetamide

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

E209-0791

Molecular Formula

C21H20ClN3O5 (C21 H20 ClN3 O5)

Compound Name

2-{4-[(4-chlorophenyl)methyl]-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl}-N-(2,4-dimethoxyphenyl)acetamide

IUPAC name

2-{4-[(4-chlorophenyl)methyl]-23-dioxo-1234-tetrahydropyrazin-1-yl}-N-(24-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CN(C=CN(Cc(cc1)ccc1Cl)C1=O)C1=O)=O

InChI

InChI=1S/C21H20ClN3O5/c1-29-16-7-8-17(18(11-16)30-2)23-19(26)13-25-10-9-24(20(27)21(25)28)12-14-3-5-15(22)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,26)

InChI Key

QKGSBFJYGWJZKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14846767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

1.517

Water Solubility, LogSw

-2.67

Polar Surface Area

69.101

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E209-0791 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E209-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E209-0791?
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What is the minimum amount of E209-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E209-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E209-0791
  • 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 E209-0791 available by request