G195-0734 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one

G195-0734 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one
G195-0734 Screening compound: 1-(3-chloro-4-methoxyphenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0734
1-(3-chloro-4-methoxyphenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]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

G195-0734

Molecular Formula

C22H21ClN2O3S (C22 H21 ClN2 O3 S)

Compound Name

1-(3-chloro-4-methoxyphenyl)-3-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-1,2-dihydropyrazin-2-one

IUPAC name

1-(3-chloro-4-methoxyphenyl)-3-{[1-(34-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-12-dihydropyrazin-2-one

SMILES

CC(C(c1cc(C)c(C)cc1)=O)SC1=NC=CN(c(cc2)cc(Cl)c2OC)C1=O

InChI

InChI=1S/C22H21ClN2O3S/c1-13-5-6-16(11-14(13)2)20(26)15(3)29-21-22(27)25(10-9-24-21)17-7-8-19(28-4)18(23)12-17/h5-12,15H,1-4H3/t15-/m0/s1

InChI Key

ONOKFBDPXSUZGW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14984133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.94

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

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.63

Polar Surface Area

45.012

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

G195-0734 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G195-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0734?
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What is the minimum amount of G195-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0734
  • 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 G195-0734 available by request