2389-1926 Screening compound: N'-[(E)-(4-bromophenyl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide

2389-1926 Screening compound: N'-[(E)-(4-bromophenyl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide
2389-1926 Screening compound: N'-[(E)-(4-bromophenyl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2389-1926
N'-[(E)-(4-bromophenyl)methylidene]-2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]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

2389-1926

Molecular Formula

C12H10BrN5O3S (C12 H10 BrN5 O3 S)

Compound Name

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

IUPAC name

N'-[(E)-(4-bromophenyl)methylidene]-2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]acetohydrazide

SMILES

O=C(CSC(C(N1)=O)=NNC1=O)N/N=C/c(cc1)ccc1Br

InChI

InChI=1S/C12H10BrN5O3S/c13-8-3-1-7(2-4-8)5-14-16-9(19)6-22-11-10(20)15-12(21)18-17-11/h1-5H,6H2,(H,16,19)(H2,15,18,20,21)

InChI Key

XLSLXJQRELCVQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01472312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.160

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.25

Polar Surface Area

96.428

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2389-1926 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2389-1926 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 2389-1926
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2389-1926
  • 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 2389-1926 available by request