D071-0079 Screening compound: 2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide

D071-0079 Screening compound: 2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
D071-0079 Screening compound: 2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D071-0079
2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylethyl)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

D071-0079

Molecular Formula

C14H16N4O2S (C14 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(O)n1)nnc1SCC(NCCc1ccccc1)=O

InChI

InChI=1S/C14H16N4O2S/c1-10-13(20)16-14(18-17-10)21-9-12(19)15-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,19)(H,16,18,20)

InChI Key

JZKWURWKZMXRHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03431031

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.524

Distribution Coefficient, logD

-0.121

Water Solubility, LogSw

-1.91

Polar Surface Area

72.238

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D071-0079 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D071-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D071-0079?
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What is the minimum amount of D071-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D071-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D071-0079
  • 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 D071-0079 available by request