E209-0166 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione

E209-0166 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione
E209-0166 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E209-0166
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methylphenyl)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

E209-0166

Molecular Formula

C19H16ClFN2O2 (C19 H16 ClFN2 O2)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydropyrazine-2,3-dione

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1234-tetrahydropyrazine-23-dione

SMILES

Cc1ccc(CN(C=CN(Cc(c(F)ccc2)c2Cl)C2=O)C2=O)cc1

InChI

InChI=1S/C19H16ClFN2O2/c1-13-5-7-14(8-6-13)11-22-9-10-23(19(25)18(22)24)12-15-16(20)3-2-4-17(15)21/h2-10H,11-12H2,1H3

InChI Key

ZBBMJHRNNHSQNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14846656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.8

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

2.627

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.25

Polar Surface Area

31.475

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E209-0166 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E209-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E209-0166?
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What is the minimum amount of E209-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E209-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E209-0166
  • 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 E209-0166 available by request