G003-0440 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

G003-0440 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
G003-0440 Screening compound: 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G003-0440
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)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

G003-0440

Molecular Formula

C17H22N4O2S (C17 H22 N4 O2 S)

Compound Name

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-[(56-diethyl-124-triazin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

SMILES

CCc1nc(SCC(Nc(cc2)ccc2OCC)=O)nnc1CC

InChI

InChI=1S/C17H22N4O2S/c1-4-14-15(5-2)20-21-17(19-14)24-11-16(22)18-12-7-9-13(10-8-12)23-6-3/h7-10H,4-6,11H2,1-3H3,(H,18,22)

InChI Key

BJOBCEWFVFMYNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03018137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.43

Polar Surface Area

63.192

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G003-0440 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 G003-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G003-0440?
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What is the minimum amount of G003-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G003-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G003-0440
  • 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 G003-0440 available by request