8008-4473 Screening compound: 6-ethoxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3-benzothiazole

8008-4473 Screening compound: 6-ethoxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3-benzothiazole
8008-4473 Screening compound: 6-ethoxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4473
6-ethoxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3-benzothiazole

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

8008-4473

Molecular Formula

C17H17NO2S2 (C17 H17 NO2 S2)

Compound Name

6-ethoxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3-benzothiazole

IUPAC name

6-ethoxy-2-{[(4-methoxyphenyl)methyl]sulfanyl}-13-benzothiazole

SMILES

CCOc(cc1)cc2c1nc(SCc(cc1)ccc1OC)s2

InChI

InChI=1S/C17H17NO2S2/c1-3-20-14-8-9-15-16(10-14)22-17(18-15)21-11-12-4-6-13(19-2)7-5-12/h4-10H,3,11H2,1-2H3

InChI Key

AXJKWRKFGZTAHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.72

Polar Surface Area

23.716

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8008-4473 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-4473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4473?
Check Price and Availability of 8008-4473, 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 8008-4473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4473
  • 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 8008-4473 available by request