D347-0542 Screening compound: 2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1-methyl-1H-1,3-benzodiazole

D347-0542 Screening compound: 2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1-methyl-1H-1,3-benzodiazole
D347-0542 Screening compound: 2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0542
2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1-methyl-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

D347-0542

Molecular Formula

C18H20N2OS (C18 H20 N2 OS)

Compound Name

2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1-methyl-1H-13-benzodiazole

SMILES

CCc(cc1)ccc1OCCSc1nc(cccc2)c2n1C

InChI

InChI=1S/C18H20N2OS/c1-3-14-8-10-15(11-9-14)21-12-13-22-18-19-16-6-4-5-7-17(16)20(18)2/h4-11H,3,12-13H2,1-2H3

InChI Key

LAERKYBIECTVCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759590

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.44

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

4.800

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.52

Polar Surface Area

18.977

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D347-0542 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D347-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0542?
Check Price and Availability of D347-0542, 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 D347-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0542
  • 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 D347-0542 available by request