D084-0745 Screening compound: N-(2-ethyl-6-methylphenyl)-2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamide

D084-0745 Screening compound: N-(2-ethyl-6-methylphenyl)-2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamide
D084-0745 Screening compound: N-(2-ethyl-6-methylphenyl)-2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D084-0745
N-(2-ethyl-6-methylphenyl)-2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]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

D084-0745

Molecular Formula

C14H16N4O2S (C14 H16 N4 O2 S)

Compound Name

N-(2-ethyl-6-methylphenyl)-2-[(3-hydroxy-1,2,4-triazin-5-yl)sulfanyl]acetamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-[(3-hydroxy-124-triazin-5-yl)sulfanyl]acetamide

SMILES

CCc(cccc1C)c1NC(CSc1nc(O)nnc1)=O

InChI

InChI=1S/C14H16N4O2S/c1-3-10-6-4-5-9(2)13(10)16-11(19)8-21-12-7-15-18-14(20)17-12/h4-7H,3,8H2,1-2H3,(H,16,19)(H,17,18,20)

InChI Key

BBSQZMYEIVYUJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10088234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-2.19

Polar Surface Area

70.610

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D084-0745 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D084-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D084-0745?
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What is the minimum amount of D084-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D084-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D084-0745
  • 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 D084-0745 available by request