G195-0722 Screening compound: 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-(3-fluoro-4-methylphenyl)-1,2-dihydropyrazin-2-one

G195-0722 Screening compound: 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-(3-fluoro-4-methylphenyl)-1,2-dihydropyrazin-2-one
G195-0722 Screening compound: 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-(3-fluoro-4-methylphenyl)-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0722
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-(3-fluoro-4-methylphenyl)-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

G195-0722

Molecular Formula

C18H13ClF2N2OS (C18 H13 ClF2 N2 OS)

Compound Name

3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-(3-fluoro-4-methylphenyl)-1,2-dihydropyrazin-2-one

IUPAC name

3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-1-(3-fluoro-4-methylphenyl)-12-dihydropyrazin-2-one

SMILES

Cc(ccc(N(C=CN=C1SCc(ccc(F)c2)c2Cl)C1=O)c1)c1F

InChI

InChI=1S/C18H13ClF2N2OS/c1-11-2-5-14(9-16(11)21)23-7-6-22-17(18(23)24)25-10-12-3-4-13(20)8-15(12)19/h2-9H,10H2,1H3

InChI Key

LRFBNGPSXDSNAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.45

Polar Surface Area

23.643

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G195-0722 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G195-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0722?
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What is the minimum amount of G195-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0722
  • 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 G195-0722 available by request