G195-0563 Screening compound: 2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

G195-0563 Screening compound: 2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
G195-0563 Screening compound: 2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0563
2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

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

G195-0563

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{[4-(4-methoxyphenyl)-3-oxo-34-dihydropyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSC2=NC=CN(c(cc3)ccc3OC)C2=O)=O)cc1

InChI

InChI=1S/C21H21N3O3S/c1-15-3-5-16(6-4-15)13-23-19(25)14-28-20-21(26)24(12-11-22-20)17-7-9-18(27-2)10-8-17/h3-12H,13-14H2,1-2H3,(H,23,25)

InChI Key

CHVIYPNFVHWBJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-2.58

Polar Surface Area

55.658

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G195-0563 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G195-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0563?
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What is the minimum amount of G195-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0563
  • 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 G195-0563 available by request