8010-4111 Screening compound: 2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

8010-4111 Screening compound: 2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
8010-4111 Screening compound: 2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4111
2-(2-{[2-(2-methoxyphenoxy)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

8010-4111

Molecular Formula

C18H18N2O4S (C18 H18 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1OCCSc1nc(cccc2)c2n1CC(O)=O

InChI

InChI=1S/C18H18N2O4S/c1-23-15-8-4-5-9-16(15)24-10-11-25-18-19-13-6-2-3-7-14(13)20(18)12-17(21)22/h2-9H,10-12H2,1H3,(H,21,22)

InChI Key

ILNYYWARJNVUQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

-1.562

Water Solubility, LogSw

-2.43

Polar Surface Area

54.268

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8010-4111 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 8010-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4111?
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What is the minimum amount of 8010-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4111
  • 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 8010-4111 available by request