4026-0016 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-(ethylsulfanyl)-1H-1,3-benzodiazole

4026-0016 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-(ethylsulfanyl)-1H-1,3-benzodiazole
4026-0016 Screening compound: 1-[2-(4-chlorophenoxy)ethyl]-2-(ethylsulfanyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4026-0016
1-[2-(4-chlorophenoxy)ethyl]-2-(ethylsulfanyl)-1H-1,3-benzodiazole

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

4026-0016

Molecular Formula

C17H17ClN2OS (C17 H17 ClN2 OS)

Compound Name

1-[2-(4-chlorophenoxy)ethyl]-2-(ethylsulfanyl)-1H-1,3-benzodiazole

IUPAC name

1-[2-(4-chlorophenoxy)ethyl]-2-(ethylsulfanyl)-1H-13-benzodiazole

SMILES

CCSc1nc(cccc2)c2n1CCOc(cc1)ccc1Cl

InChI

InChI=1S/C17H17ClN2OS/c1-2-22-17-19-15-5-3-4-6-16(15)20(17)11-12-21-14-9-7-13(18)8-10-14/h3-10H,2,11-12H2,1H3

InChI Key

LRLVRGBJYNSZDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02280640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.97

Polar Surface Area

18.145

Acid Dissociation Constant (pKa)

24.02

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4026-0016 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4026-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4026-0016?
Check Price and Availability of 4026-0016, 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 4026-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4026-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4026-0016
  • 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 4026-0016 available by request