7202-2056 Screening compound: 4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

7202-2056 Screening compound: 4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide
7202-2056 Screening compound: 4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7202-2056
4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

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

7202-2056

Molecular Formula

C20H16N4O3S2 (C20 H16 N4 O3 S2)

Compound Name

4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

IUPAC name

4-ethyl-N-[(1Z)-4-oxo-3-(1H-124-triazol-3-ylsulfanyl)-14-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

SMILES

CCc(cc1)ccc1S(/N=C(/C=C1Sc2n[nH]cn2)\c(cccc2)c2C1=O)(=O)=O

InChI

InChI=1S/C20H16N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3,(H,21,22,23)

InChI Key

MRJFSYVZVJCLMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.763

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.03

Polar Surface Area

86.410

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7202-2056 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 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 7202-2056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7202-2056?
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What is the minimum amount of 7202-2056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7202-2056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7202-2056
  • 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 7202-2056 available by request