G195-0866 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one

G195-0866 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one
G195-0866 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0866
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-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

G195-0866

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

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

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-{[1-(34-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-12-dihydropyrazin-2-one

SMILES

CC(C(c1cc(C)c(C)cc1)=O)SC1=NC=CN(c(cc2)cc3c2OCCO3)C1=O

InChI

InChI=1S/C23H22N2O4S/c1-14-4-5-17(12-15(14)2)21(26)16(3)30-22-23(27)25(9-8-24-22)18-6-7-19-20(13-18)29-11-10-28-19/h4-9,12-13,16H,10-11H2,1-3H3/t16-/m0/s1

InChI Key

FNVDRZOKXZJPRE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14984168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.08

Polar Surface Area

53.204

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G195-0866 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G195-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0866?
Check Price and Availability of G195-0866, 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 G195-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0866
  • 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 G195-0866 available by request