G194-0127 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-fluorophenyl)-1,2-dihydropyrazin-2-one

G194-0127 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-fluorophenyl)-1,2-dihydropyrazin-2-one
G194-0127 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-fluorophenyl)-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G194-0127
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-fluorophenyl)-1,2-dihydropyrazin-2-one

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

G194-0127

Molecular Formula

C18H14FN3O3 (C18 H14 FN3 O3)

Compound Name

3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-fluorophenyl)-1,2-dihydropyrazin-2-one

IUPAC name

3-{[(2H-13-benzodioxol-5-yl)methyl]amino}-1-(4-fluorophenyl)-12-dihydropyrazin-2-one

SMILES

O=C(C(NCc(cc1)cc2c1OCO2)=NC=C1)N1c(cc1)ccc1F

InChI

InChI=1S/C18H14FN3O3/c19-13-2-4-14(5-3-13)22-8-7-20-17(18(22)23)21-10-12-1-6-15-16(9-12)25-11-24-15/h1-9H,10-11H2,(H,20,21)

InChI Key

UTDPIBKNHYSZSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.605

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-2.11

Polar Surface Area

52.417

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G194-0127 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G194-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G194-0127?
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What is the minimum amount of G194-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G194-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G194-0127
  • 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 G194-0127 available by request