1595-0022 Screening compound: 4-{2-[(4-bromophenyl)sulfanyl]ethyl}pyridine

1595-0022 Screening compound: 4-{2-[(4-bromophenyl)sulfanyl]ethyl}pyridine
1595-0022 Screening compound: 4-{2-[(4-bromophenyl)sulfanyl]ethyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1595-0022
4-{2-[(4-bromophenyl)sulfanyl]ethyl}pyridine

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

1595-0022

Molecular Formula

C13H12BrNS (C13 H12 BrNS)

Compound Name

4-{2-[(4-bromophenyl)sulfanyl]ethyl}pyridine

IUPAC name

4-{2-[(4-bromophenyl)sulfanyl]ethyl}pyridine

SMILES

Brc(cc1)ccc1SCCc1ccncc1

InChI

InChI=1S/C13H12BrNS/c14-12-1-3-13(4-2-12)16-10-7-11-5-8-15-9-6-11/h1-6,8-9H,7,10H2

InChI Key

WYTKFIDAXZBAHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.13

Polar Surface Area

9.395

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

1595-0022 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1595-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1595-0022?
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What is the minimum amount of 1595-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1595-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1595-0022
  • 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 1595-0022 available by request