G003-0047 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylethan-1-one

G003-0047 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylethan-1-one
G003-0047 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0047
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylethan-1-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

G003-0047

Molecular Formula

C23H17N3OS (C23 H17 N3 OS)

Compound Name

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-phenylethan-1-one

IUPAC name

2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]-1-phenylethan-1-one

SMILES

O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1

InChI

InChI=1S/C23H17N3OS/c27-20(17-10-4-1-5-11-17)16-28-23-24-21(18-12-6-2-7-13-18)22(25-26-23)19-14-8-3-9-15-19/h1-15H,16H2

InChI Key

KITQCDYKGBCTSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.46

Polar Surface Area

44.632

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

G003-0047 in Drug Discovery

Included in Screening Libraries

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 G003-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0047?
Check Price and Availability of G003-0047, 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 G003-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0047
  • 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 G003-0047 available by request