3232-0088 Screening compound: ethyl 2-[(5-oxo-6-{[2-oxo-2-(propan-2-yloxy)ethyl]amino}-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

3232-0088 Screening compound: ethyl 2-[(5-oxo-6-{[2-oxo-2-(propan-2-yloxy)ethyl]amino}-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate
3232-0088 Screening compound: ethyl 2-[(5-oxo-6-{[2-oxo-2-(propan-2-yloxy)ethyl]amino}-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-0088
ethyl 2-[(5-oxo-6-{[2-oxo-2-(propan-2-yloxy)ethyl]amino}-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

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

3232-0088

Molecular Formula

C12H18N4O5S (C12 H18 N4 O5 S)

Compound Name

ethyl 2-[(5-oxo-6-{[2-oxo-2-(propan-2-yloxy)ethyl]amino}-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(5-oxo-6-{[2-oxo-2-(propan-2-yloxy)ethyl]amino}-45-dihydro-124-triazin-3-yl)sulfanyl]acetate

SMILES

CCOC(CSC(NC1=O)=NN=C1NCC(OC(C)C)=O)=O

InChI

InChI=1S/C12H18N4O5S/c1-4-20-9(18)6-22-12-14-11(19)10(15-16-12)13-5-8(17)21-7(2)3/h7H,4-6H2,1-3H3,(H,13,15)(H,14,16,19)

InChI Key

BTMWJMMBDIDCGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01183877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.523

Distribution Coefficient, logD

-0.809

Water Solubility, LogSw

-2.00

Polar Surface Area

97.413

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

3232-0088 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3232-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-0088?
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What is the minimum amount of 3232-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-0088
  • 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 3232-0088 available by request