G195-0566 Screening compound: 2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

G195-0566 Screening compound: 2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
G195-0566 Screening compound: 2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0566
2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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

G195-0566

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(CSC1=NC=CN(c(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C22H23N3O3S/c1-15(2)16-4-6-17(7-5-16)24-20(26)14-29-21-22(27)25(13-12-23-21)18-8-10-19(28-3)11-9-18/h4-13,15H,14H2,1-3H3,(H,24,26)

InChI Key

SLGIMNCPRDBTKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

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

3.433

Distribution Coefficient, logD

3.433

Water Solubility, LogSw

-3.72

Polar Surface Area

54.336

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G195-0566 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 G195-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0566?
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What is the minimum amount of G195-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0566
  • 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 G195-0566 available by request