3254-1869 Screening compound: 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

3254-1869 Screening compound: 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
3254-1869 Screening compound: 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1869
2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]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

3254-1869

Molecular Formula

C21H20N6O3S (C21 H20 N6 O3 S)

Compound Name

2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

IUPAC name

2-[(4-ethyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]-N'-[(1E2Z)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

SMILES

CCn1c(SCC(N/N=C/C=C\c(cccc2)c2[N+]([O-])=O)=O)nnc1-c1ccccc1

InChI

InChI=1S/C21H20N6O3S/c1-2-26-20(17-10-4-3-5-11-17)24-25-21(26)31-15-19(28)23-22-14-8-12-16-9-6-7-13-18(16)27(29)30/h3-14H,2,15H2,1H3,(H,23,28)

InChI Key

OQMKAEQDDXZIKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.79

Polar Surface Area

93.051

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3254-1869 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3254-1869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1869?
Check Price and Availability of 3254-1869, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3254-1869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1869
  • 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 3254-1869 available by request