2595-0163 Screening compound: N'-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

2595-0163 Screening compound: N'-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
2595-0163 Screening compound: N'-[(E)-(3-bromo-4,5-dimethoxyphenyl)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 2595-0163
N'-[(E)-(3-bromo-4,5-dimethoxyphenyl)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

2595-0163

Molecular Formula

C15H16BrN5O5 (C15 H16 BrN5 O5)

Compound Name

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

IUPAC name

N'-[(E)-(3-bromo-45-dimethoxyphenyl)methylidene]-3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)propanehydrazide

SMILES

COc1cc(/C=N/NC(CCC(C(N2)=O)=NNC2=O)=O)cc(Br)c1OC

InChI

InChI=1S/C15H16BrN5O5/c1-25-11-6-8(5-9(16)13(11)26-2)7-17-20-12(22)4-3-10-14(23)18-15(24)21-19-10/h5-7H,3-4H2,1-2H3,(H,20,22)(H2,18,21,23,24)

InChI Key

PXSLJDXIYNRRBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02337055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.882

Distribution Coefficient, logD

0.856

Water Solubility, LogSw

-2.02

Polar Surface Area

111.260

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

2595-0163 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 2595-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-0163?
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What is the minimum amount of 2595-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-0163
  • 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 2595-0163 available by request