8018-7342 Screening compound: 4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-1-benzenesulfonamide

8018-7342 Screening compound: 4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-1-benzenesulfonamide
8018-7342 Screening compound: 4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7342
4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-1-benzenesulfonamide

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

8018-7342

Molecular Formula

C14H11BrN4O3S2 (C14 H11 BrN4 O3 S2)

Compound Name

4-bromo-N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-1-benzenesulfonamide

IUPAC name

4-bromo-N-[4-hydroxy-3-(1H-124-triazol-3-ylsulfanyl)phenyl]benzene-1-sulfonamide

SMILES

Oc(ccc(NS(c(cc1)ccc1Br)(=O)=O)c1)c1Sc1n[nH]cn1

InChI

InChI=1S/C14H11BrN4O3S2/c15-9-1-4-11(5-2-9)24(21,22)19-10-3-6-12(20)13(7-10)23-14-16-8-17-18-14/h1-8,19-20H,(H,16,17,18)

InChI Key

JDRHTVIFTLHDPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.210

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.24

Polar Surface Area

91.590

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-7342 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Autophagy-Targeted Library (4564 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 8018-7342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7342?
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What is the minimum amount of 8018-7342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7342
  • 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 8018-7342 available by request