1682-6235 Screening compound: N'-[(E)-(3-bromophenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

1682-6235 Screening compound: N'-[(E)-(3-bromophenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
1682-6235 Screening compound: N'-[(E)-(3-bromophenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-6235
N'-[(E)-(3-bromophenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)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

1682-6235

Molecular Formula

C13H12BrN5O3 (C13 H12 BrN5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(C(N1)=O)=NNC1=O)N/N=C/c1cccc(Br)c1

InChI

InChI=1S/C13H12BrN5O3/c14-9-3-1-2-8(6-9)7-15-18-11(20)5-4-10-12(21)16-13(22)19-17-10/h1-3,6-7H,4-5H2,(H,18,20)(H2,16,19,21,22)

InChI Key

SLJHDQCDYBSRHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.156

Distribution Coefficient, logD

1.129

Water Solubility, LogSw

-2.23

Polar Surface Area

95.912

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

1682-6235 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 1682-6235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-6235?
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What is the minimum amount of 1682-6235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-6235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-6235
  • 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 1682-6235 available by request