1803-0021 Screening compound: 2-(2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

1803-0021 Screening compound: 2-(2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
1803-0021 Screening compound: 2-(2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1803-0021
2-(2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

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

1803-0021

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

2-(2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

IUPAC name

2-(2-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)acetic acid

SMILES

CCOc(cc1)ccc1OCCSc1nc(cccc2)c2n1CC(O)=O

InChI

InChI=1S/C19H20N2O4S/c1-2-24-14-7-9-15(10-8-14)25-11-12-26-19-20-16-5-3-4-6-17(16)21(19)13-18(22)23/h3-10H,2,11-13H2,1H3,(H,22,23)

InChI Key

NAYAPDBHLCTXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.933

Distribution Coefficient, logD

-0.876

Water Solubility, LogSw

-3.19

Polar Surface Area

53.674

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

1803-0021 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1803-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1803-0021?
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What is the minimum amount of 1803-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1803-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1803-0021
  • 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 1803-0021 available by request