2829-0009 Screening compound: 2-(2-{[2-(4-propoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

2829-0009 Screening compound: 2-(2-{[2-(4-propoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
2829-0009 Screening compound: 2-(2-{[2-(4-propoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2829-0009
2-(2-{[2-(4-propoxyphenoxy)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

2829-0009

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-2-11-25-15-7-9-16(10-8-15)26-12-13-27-20-21-17-5-3-4-6-18(17)22(20)14-19(23)24/h3-10H,2,11-14H2,1H3,(H,23,24)

InChI Key

ZGNHBLCHUMDTAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

-0.285

Water Solubility, LogSw

-3.50

Polar Surface Area

53.968

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2829-0009 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2829-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2829-0009?
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What is the minimum amount of 2829-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2829-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2829-0009
  • 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 2829-0009 available by request