1595-0038 Screening compound: 4-{2-[(2,5-dichlorophenyl)sulfanyl]ethyl}pyridine

1595-0038 Screening compound: 4-{2-[(2,5-dichlorophenyl)sulfanyl]ethyl}pyridine
1595-0038 Screening compound: 4-{2-[(2,5-dichlorophenyl)sulfanyl]ethyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1595-0038
4-{2-[(2,5-dichlorophenyl)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

1595-0038

Molecular Formula

C13H11Cl2NS (C13 H11 Cl2 NS)

Compound Name

4-{2-[(2,5-dichlorophenyl)sulfanyl]ethyl}pyridine

IUPAC name

4-{2-[(25-dichlorophenyl)sulfanyl]ethyl}pyridine

SMILES

Clc(cc1)cc(SCCc2ccncc2)c1Cl

InChI

InChI=1S/C13H11Cl2NS/c14-11-1-2-12(15)13(9-11)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2

InChI Key

SCGFVLAOFBKTEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.21

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

4.010

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.35

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

15.40

1595-0038 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1595-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1595-0038?
Check Price and Availability of 1595-0038, 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 1595-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1595-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1595-0038
  • 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 1595-0038 available by request