G003-0097 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diethylacetamide

G003-0097 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diethylacetamide
G003-0097 Screening compound: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0097
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-diethylacetamide

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

G003-0097

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

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

IUPAC name

2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)=O

InChI

InChI=1S/C21H22N4OS/c1-3-25(4-2)18(26)15-27-21-22-19(16-11-7-5-8-12-16)20(23-24-21)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3

InChI Key

VAIOYBGCRKQGIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01629716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.58

Polar Surface Area

47.061

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G003-0097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G003-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0097?
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What is the minimum amount of G003-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0097
  • 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 G003-0097 available by request