8223-1329 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

8223-1329 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
8223-1329 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8223-1329
N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]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

8223-1329

Molecular Formula

C13H12N4OS2 (C13 H12 N4 OS2)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide

SMILES

Cn1c(SCC(Nc2nc(cccc3)c3s2)=O)ncc1

InChI

InChI=1S/C13H12N4OS2/c1-17-7-6-14-13(17)19-8-11(18)16-12-15-9-4-2-3-5-10(9)20-12/h2-7H,8H2,1H3,(H,15,16,18)

InChI Key

STNJLOFRUPHKGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03173714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.536

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-2.78

Polar Surface Area

45.796

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8223-1329 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with 8223-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8223-1329?
Check Price and Availability of 8223-1329, 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 8223-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8223-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8223-1329
  • 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 8223-1329 available by request