7202-1961 Screening compound: 4-chloro-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide

7202-1961 Screening compound: 4-chloro-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylsulfanyl)-1,4-dihydronaphthalen-1-ylidene]benzene-1-sulfonamide
7202-1961 Screening compound: 4-chloro-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 7202-1961
4-chloro-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

7202-1961

Molecular Formula

C18H11ClN4O3S2 (C18 H11 ClN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2cccc1)C(Sc1n[nH]cn1)=C/C2=N/S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C18H11ClN4O3S2/c19-11-5-7-12(8-6-11)28(25,26)23-15-9-16(27-18-20-10-21-22-18)17(24)14-4-2-1-3-13(14)15/h1-10H,(H,20,21,22)

InChI Key

WGWYBMRNSNBHIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.9

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-4.09

Polar Surface Area

86.410

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7202-1961 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7202-1961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7202-1961?
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What is the minimum amount of 7202-1961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7202-1961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7202-1961
  • 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 7202-1961 available by request