1988-0744 Screening compound: 2-ethoxyethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate

1988-0744 Screening compound: 2-ethoxyethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate
1988-0744 Screening compound: 2-ethoxyethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0744
2-ethoxyethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate

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

1988-0744

Molecular Formula

C10H15N3O5S (C10 H15 N3 O5 S)

Compound Name

2-ethoxyethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate

IUPAC name

2-ethoxyethyl 2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]propanoate

SMILES

CCOCCOC(C(C)SC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C10H15N3O5S/c1-3-17-4-5-18-9(15)6(2)19-8-7(14)11-10(16)13-12-8/h6H,3-5H2,1-2H3,(H2,11,13,14,16)/t6-/m0/s1

InChI Key

FGSATLXWKQXRKL-LURJTMIESA-N

MDL Number (MFCD)

MFCD01181015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.107

Distribution Coefficient, logD

0.081

Water Solubility, LogSw

-2.08

Polar Surface Area

90.351

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

1988-0744 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1988-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0744?
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What is the minimum amount of 1988-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0744
  • 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 1988-0744 available by request