2614-0026 Screening compound: 6-bromo-2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

2614-0026 Screening compound: 6-bromo-2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole
2614-0026 Screening compound: 6-bromo-2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2614-0026
6-bromo-2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-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

2614-0026

Molecular Formula

C17H17BrN2O2S (C17 H17 BrN2 O2 S)

Compound Name

6-bromo-2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

6-bromo-2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-13-benzodiazole

SMILES

CCOc(cc1)ccc1OCCSc1nc(ccc(Br)c2)c2[nH]1

InChI

InChI=1S/C17H17BrN2O2S/c1-2-21-13-4-6-14(7-5-13)22-9-10-23-17-19-15-8-3-12(18)11-16(15)20-17/h3-8,11H,2,9-10H2,1H3,(H,19,20)

InChI Key

OEBTZNGWQFLATO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.38

Polar Surface Area

32.521

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2614-0026 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2614-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2614-0026?
Check Price and Availability of 2614-0026, 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 2614-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2614-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2614-0026
  • 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 2614-0026 available by request