1988-0331 Screening compound: 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(furan-2-yl)methylidene]acetohydrazide

1988-0331 Screening compound: 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(furan-2-yl)methylidene]acetohydrazide
1988-0331 Screening compound: 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(furan-2-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0331
2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(furan-2-yl)methylidene]acetohydrazide

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

1988-0331

Molecular Formula

C10H9N5O4 (C10 H9 N5 O4)

Compound Name

2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(furan-2-yl)methylidene]acetohydrazide

IUPAC name

2-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)-N'-[(E)-(furan-2-yl)methylidene]acetohydrazide

SMILES

O=C(CC(C(N1)=O)=NNC1=O)N/N=C/c1ccco1

InChI

InChI=1S/C10H9N5O4/c16-8(14-11-5-6-2-1-3-19-6)4-7-9(17)12-10(18)15-13-7/h1-3,5H,4H2,(H,14,16)(H2,12,15,17,18)

InChI Key

UCOJYWKTLPVPHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.368

Distribution Coefficient, logD

-0.380

Water Solubility, LogSw

-1.69

Polar Surface Area

103.661

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1988-0331 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0331?
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What is the minimum amount of 1988-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0331
  • 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 1988-0331 available by request