E209-0912 Screening compound: 1-(3-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

E209-0912 Screening compound: 1-(3-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione
E209-0912 Screening compound: 1-(3-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E209-0912
1-(3-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

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

E209-0912

Molecular Formula

C18H12ClF3N2O2 (C18 H12 ClF3 N2 O2)

Compound Name

1-(3-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropyrazine-2,3-dione

IUPAC name

1-(3-chlorophenyl)-4-{[3-(trifluoromethyl)phenyl]methyl}-1234-tetrahydropyrazine-23-dione

SMILES

O=C1N(Cc2cc(C(F)(F)F)ccc2)C=CN(c2cccc(Cl)c2)C1=O

InChI

InChI=1S/C18H12ClF3N2O2/c19-14-5-2-6-15(10-14)24-8-7-23(16(25)17(24)26)11-12-3-1-4-13(9-12)18(20,21)22/h1-10H,11H2

InChI Key

SBTZBVIAVIGXQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14846847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.37

Polar Surface Area

31.029

Acid Dissociation Constant (pKa)

30.26

Base Dissociation Constant (pKb)

-9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E209-0912 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E209-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E209-0912?
Check Price and Availability of E209-0912, 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 E209-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E209-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E209-0912
  • 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 E209-0912 available by request