2279-4341 Screening compound: 4-[(E)-{[2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetamido]imino}methyl]benzoic acid

2279-4341 Screening compound: 4-[(E)-{[2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetamido]imino}methyl]benzoic acid
2279-4341 Screening compound: 4-[(E)-{[2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetamido]imino}methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-4341
4-[(E)-{[2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetamido]imino}methyl]benzoic acid

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

2279-4341

Molecular Formula

C13H11N5O5 (C13 H11 N5 O5)

Compound Name

4-[(E)-{[2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetamido]imino}methyl]benzoic acid

IUPAC name

4-[(E)-{[2-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)acetamido]imino}methyl]benzoic acid

SMILES

OC(c1ccc(/C=N/NC(CC(C(N2)=O)=NNC2=O)=O)cc1)=O

InChI

InChI=1S/C13H11N5O5/c19-10(5-9-11(20)15-13(23)18-16-9)17-14-6-7-1-3-8(4-2-7)12(21)22/h1-4,6H,5H2,(H,17,19)(H,21,22)(H2,15,18,20,23)

InChI Key

REHQOEYTCGUGMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01463108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.26

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.101

Distribution Coefficient, logD

-3.707

Water Solubility, LogSw

-1.88

Polar Surface Area

124.320

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

2279-4341 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2279-4341 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-4341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-4341
  • 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 2279-4341 available by request