G195-0424 Screening compound: 2-{[4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

G195-0424 Screening compound: 2-{[4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
G195-0424 Screening compound: 2-{[4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0424
2-{[4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(2-phenylethyl)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

G195-0424

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

2-{[4-(3,4-dimethylphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{[4-(34-dimethylphenyl)-3-oxo-34-dihydropyrazin-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

SMILES

Cc(cc1)c(C)cc1N(C=CN=C1SCC(NCCc2ccccc2)=O)C1=O

InChI

InChI=1S/C22H23N3O2S/c1-16-8-9-19(14-17(16)2)25-13-12-24-21(22(25)27)28-15-20(26)23-11-10-18-6-4-3-5-7-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,23,26)

InChI Key

UWUDVKWERUMJCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.716

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.07

Polar Surface Area

47.956

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G195-0424 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 G195-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0424?
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What is the minimum amount of G195-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0424
  • 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 G195-0424 available by request