4491-0644 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

4491-0644 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
4491-0644 Screening compound: N'-[(E)-(5-bromo-2-hydroxyphenyl)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 4491-0644
N'-[(E)-(5-bromo-2-hydroxyphenyl)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

4491-0644

Molecular Formula

C13H12BrN5O4 (C13 H12 BrN5 O4)

Compound Name

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

IUPAC name

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)propanehydrazide

SMILES

Oc(cc1)c(/C=N/NC(CCC(C(N2)=O)=NNC2=O)=O)cc1Br

InChI

InChI=1S/C13H12BrN5O4/c14-8-1-3-10(20)7(5-8)6-15-18-11(21)4-2-9-12(22)16-13(23)19-17-9/h1,3,5-6,20H,2,4H2,(H,18,21)(H2,16,19,22,23)

InChI Key

MFEBOESOXQDKKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01531033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.023

Distribution Coefficient, logD

0.997

Water Solubility, LogSw

-2.15

Polar Surface Area

112.460

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4491-0644 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4491-0644 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 4491-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0644
  • 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 4491-0644 available by request