4197-0006 Screening compound: 2-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-ol

4197-0006 Screening compound: 2-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-ol
4197-0006 Screening compound: 2-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4197-0006
2-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-ol

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

4197-0006

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

2-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}ethan-1-ol

IUPAC name

2-{[1-(2-phenoxyethyl)-1H-13-benzodiazol-2-yl]sulfanyl}ethan-1-ol

SMILES

OCCSc1nc(cccc2)c2n1CCOc1ccccc1

InChI

InChI=1S/C17H18N2O2S/c20-11-13-22-17-18-15-8-4-5-9-16(15)19(17)10-12-21-14-6-2-1-3-7-14/h1-9,20H,10-13H2

InChI Key

MRVUCSYJWZHIBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

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

3.592

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.50

Polar Surface Area

34.801

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4197-0006 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4197-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4197-0006?
Check Price and Availability of 4197-0006, 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 4197-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4197-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4197-0006
  • 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 4197-0006 available by request