5830-0042 Screening compound: N'-[(E)-(2-bromophenyl)methylidene]-3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide

5830-0042 Screening compound: N'-[(E)-(2-bromophenyl)methylidene]-3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide
5830-0042 Screening compound: N'-[(E)-(2-bromophenyl)methylidene]-3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-0042
N'-[(E)-(2-bromophenyl)methylidene]-3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanehydrazide

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

5830-0042

Molecular Formula

C13H13BrN6O3 (C13 H13 BrN6 O3)

Compound Name

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

IUPAC name

N'-[(E)-(2-bromophenyl)methylidene]-3-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)amino]propanehydrazide

SMILES

O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C/c(cccc1)c1Br

InChI

InChI=1S/C13H13BrN6O3/c14-9-4-2-1-3-8(9)7-16-18-10(21)5-6-15-11-12(22)17-13(23)20-19-11/h1-4,7H,5-6H2,(H,15,19)(H,18,21)(H2,17,20,22,23)

InChI Key

KRVHQUGJZLZZNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02166779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.19

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.443

Distribution Coefficient, logD

-1.220

Water Solubility, LogSw

-2.03

Polar Surface Area

107.928

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5830-0042 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 5830-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-0042?
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What is the minimum amount of 5830-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-0042
  • 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 5830-0042 available by request