G195-0549 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

G195-0549 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide
G195-0549 Screening compound: N-[(2-chlorophenyl)methyl]-2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0549
N-[(2-chlorophenyl)methyl]-2-{[4-(4-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}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

G195-0549

Molecular Formula

C20H18ClN3O3S (C20 H18 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C=CN=C1SCC(NCc(cccc2)c2Cl)=O)C1=O

InChI

InChI=1S/C20H18ClN3O3S/c1-27-16-8-6-15(7-9-16)24-11-10-22-19(20(24)26)28-13-18(25)23-12-14-4-2-3-5-17(14)21/h2-11H,12-13H2,1H3,(H,23,25)

InChI Key

CNMNPOZLLWMCJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.9

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

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.10

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

15.00

G195-0549 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G195-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0549?
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What is the minimum amount of G195-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0549
  • 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 G195-0549 available by request