G195-0506 Screening compound: 1-(3,5-dimethylphenyl)-3-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one

G195-0506 Screening compound: 1-(3,5-dimethylphenyl)-3-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
G195-0506 Screening compound: 1-(3,5-dimethylphenyl)-3-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0506
1-(3,5-dimethylphenyl)-3-{[(2,4,6-trimethylphenyl)methyl]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

G195-0506

Molecular Formula

C22H24N2OS (C22 H24 N2 OS)

Compound Name

1-(3,5-dimethylphenyl)-3-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one

IUPAC name

1-(35-dimethylphenyl)-3-{[(246-trimethylphenyl)methyl]sulfanyl}-12-dihydropyrazin-2-one

SMILES

Cc1cc(N(C=CN=C2SCc3c(C)cc(C)cc3C)C2=O)cc(C)c1

InChI

InChI=1S/C22H24N2OS/c1-14-8-15(2)12-19(11-14)24-7-6-23-21(22(24)25)26-13-20-17(4)9-16(3)10-18(20)5/h6-12H,13H2,1-5H3

InChI Key

ZYYWVWYCJNKCBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.28

Polar Surface Area

23.643

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G195-0506 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 G195-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0506?
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What is the minimum amount of G195-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0506
  • 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 G195-0506 available by request