G195-0957 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazin-2-one

G195-0957 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazin-2-one
G195-0957 Screening compound: 3-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0957
3-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-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

G195-0957

Molecular Formula

C19H15ClN2O3S (C19 H15 ClN2 O3 S)

Compound Name

3-{[(3-chlorophenyl)methyl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazin-2-one

IUPAC name

3-{[(3-chlorophenyl)methyl]sulfanyl}-1-(23-dihydro-14-benzodioxin-6-yl)-12-dihydropyrazin-2-one

SMILES

O=C(C(SCc1cccc(Cl)c1)=NC=C1)N1c(cc1)cc2c1OCCO2

InChI

InChI=1S/C19H15ClN2O3S/c20-14-3-1-2-13(10-14)12-26-18-19(23)22(7-6-21-18)15-4-5-16-17(11-15)25-9-8-24-16/h1-7,10-11H,8-9,12H2

InChI Key

QHWPYYKKPBJODF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07804062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

2.480

Water Solubility, LogSw

-3.10

Polar Surface Area

39.466

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G195-0957 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 G195-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0957?
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What is the minimum amount of G195-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0957
  • 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 G195-0957 available by request