5700-5134 Screening compound: N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

5700-5134 Screening compound: N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
5700-5134 Screening compound: N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-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 5700-5134
N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-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

5700-5134

Molecular Formula

C14H14ClN5O3 (C14 H14 ClN5 O3)

Compound Name

N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide

IUPAC name

N'-[(1Z)-1-(4-chlorophenyl)ethylidene]-3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)propanehydrazide

SMILES

C/C(/c(cc1)ccc1Cl)=N/NC(CCC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C14H14ClN5O3/c1-8(9-2-4-10(15)5-3-9)17-19-12(21)7-6-11-13(22)16-14(23)20-18-11/h2-5H,6-7H2,1H3,(H,19,21)(H2,16,20,22,23)

InChI Key

RXSGDNXGWDURDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02977454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.75

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

1.151

Distribution Coefficient, logD

1.125

Water Solubility, LogSw

-2.81

Polar Surface Area

95.200

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5700-5134 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 5700-5134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5700-5134?
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What is the minimum amount of 5700-5134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5700-5134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5700-5134
  • 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 5700-5134 available by request