G003-0077 Screening compound: 3-[(2-methylpropyl)sulfanyl]-5,6-diphenyl-1,2,4-triazine

G003-0077 Screening compound: 3-[(2-methylpropyl)sulfanyl]-5,6-diphenyl-1,2,4-triazine
G003-0077 Screening compound: 3-[(2-methylpropyl)sulfanyl]-5,6-diphenyl-1,2,4-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0077
3-[(2-methylpropyl)sulfanyl]-5,6-diphenyl-1,2,4-triazine

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

G003-0077

Molecular Formula

C19H19N3S (C19 H19 N3 S)

Compound Name

3-[(2-methylpropyl)sulfanyl]-5,6-diphenyl-1,2,4-triazine

IUPAC name

3-[(2-methylpropyl)sulfanyl]-56-diphenyl-124-triazine

SMILES

CC(C)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1

InChI

InChI=1S/C19H19N3S/c1-14(2)13-23-19-20-17(15-9-5-3-6-10-15)18(21-22-19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3

InChI Key

KIDACWGZHSFZOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.53

Polar Surface Area

31.657

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

G003-0077 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 G003-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0077?
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What is the minimum amount of G003-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0077
  • 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 G003-0077 available by request