5788-2326 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

5788-2326 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
5788-2326 Screening compound: 2-[(4-chlorophenyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5788-2326
2-[(4-chlorophenyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

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

5788-2326

Molecular Formula

C17H15ClN2O2S2 (C17 H15 ClN2 O2 S2)

Compound Name

2-[(4-chlorophenyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-[(4-chlorophenyl)sulfanyl]-N-(6-ethoxy-13-benzothiazol-2-yl)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CSc(cc1)ccc1Cl)=O)s2

InChI

InChI=1S/C17H15ClN2O2S2/c1-2-22-12-5-8-14-15(9-12)24-17(19-14)20-16(21)10-23-13-6-3-11(18)4-7-13/h3-9H,2,10H2,1H3,(H,19,20,21)

InChI Key

SNZRQHRBHHDTBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03244416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.316

Distribution Coefficient, logD

5.316

Water Solubility, LogSw

-5.81

Polar Surface Area

40.001

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5788-2326 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5788-2326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5788-2326?
Check Price and Availability of 5788-2326, 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 5788-2326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5788-2326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5788-2326
  • 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 5788-2326 available by request