8010-0506 Screening compound: 2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid

8010-0506 Screening compound: 2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid
8010-0506 Screening compound: 2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0506
2-(2-{[2-(4-methylphenoxy)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

8010-0506

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-13-6-8-14(9-7-13)23-10-11-24-18-19-15-4-2-3-5-16(15)20(18)12-17(21)22/h2-9H,10-12H2,1H3,(H,21,22)

InChI Key

IAPUDLWFEXAJCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01080180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

-0.821

Water Solubility, LogSw

-3.06

Polar Surface Area

46.551

Acid Dissociation Constant (pKa)

3.59

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8010-0506 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0506?
Check Price and Availability of 8010-0506, 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 8010-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0506
  • 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 8010-0506 available by request