G195-0474 Screening compound: 1-(3,5-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-dihydropyrazin-2-one

G195-0474 Screening compound: 1-(3,5-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-dihydropyrazin-2-one
G195-0474 Screening compound: 1-(3,5-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0474
1-(3,5-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]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

G195-0474

Molecular Formula

C21H20N2O3S (C21 H20 N2 O3 S)

Compound Name

1-(3,5-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-dihydropyrazin-2-one

IUPAC name

1-(35-dimethylphenyl)-3-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-12-dihydropyrazin-2-one

SMILES

Cc1cc(N(C=CN=C2SCC(c3cc(OC)ccc3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C21H20N2O3S/c1-14-9-15(2)11-17(10-14)23-8-7-22-20(21(23)25)27-13-19(24)16-5-4-6-18(12-16)26-3/h4-12H,13H2,1-3H3

InChI Key

DDFHJWUNEQMGLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.84

Polar Surface Area

44.433

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G195-0474 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G195-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0474?
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What is the minimum amount of G195-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0474
  • 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 G195-0474 available by request