G195-0853 Screening compound: 1-(4-chlorophenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one

G195-0853 Screening compound: 1-(4-chlorophenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one
G195-0853 Screening compound: 1-(4-chlorophenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0853
1-(4-chlorophenyl)-3-{[(3-nitrophenyl)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

G195-0853

Molecular Formula

C17H12ClN3O3S (C17 H12 ClN3 O3 S)

Compound Name

1-(4-chlorophenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}-1,2-dihydropyrazin-2-one

IUPAC name

1-(4-chlorophenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}-12-dihydropyrazin-2-one

SMILES

[O-][N+](c1cccc(CSC2=NC=CN(c(cc3)ccc3Cl)C2=O)c1)=O

InChI

InChI=1S/C17H12ClN3O3S/c18-13-4-6-14(7-5-13)20-9-8-19-16(17(20)22)25-11-12-2-1-3-15(10-12)21(23)24/h1-10H,11H2

InChI Key

SVTUKHFJSNUSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.42

Polar Surface Area

57.024

Acid Dissociation Constant (pKa)

32.72

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with G195-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0853?
Check Price and Availability of G195-0853, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G195-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0853
  • 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 G195-0853 available by request