3254-2008 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

3254-2008 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
3254-2008 Screening compound: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2008
N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-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

3254-2008

Molecular Formula

C20H19ClN6O4S (C20 H19 ClN6 O4 S)

Compound Name

N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

IUPAC name

N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetohydrazide

SMILES

CCn1c(SCC(N/N=C/c(cc(cc2)[N+]([O-])=O)c2Cl)=O)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C20H19ClN6O4S/c1-3-26-19(13-4-7-16(31-2)8-5-13)24-25-20(26)32-12-18(28)23-22-11-14-10-15(27(29)30)6-9-17(14)21/h4-11H,3,12H2,1-2H3,(H,23,28)

InChI Key

QNNHKISDOCXYBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02022013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.548

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.75

Polar Surface Area

100.265

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3254-2008 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3254-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2008?
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What is the minimum amount of 3254-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2008
  • 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 3254-2008 available by request