7618-0050 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

7618-0050 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
7618-0050 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7618-0050
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-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

7618-0050

Molecular Formula

C14H14N4O2S4 (C14 H14 N4 O2 S4)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(CSc1nc(SC)ns1)=O)s2

InChI

InChI=1S/C14H14N4O2S4/c1-3-20-8-4-5-9-10(6-8)23-12(15-9)16-11(19)7-22-14-17-13(21-2)18-24-14/h4-6H,3,7H2,1-2H3,(H,15,16,19)

InChI Key

KHYJJEFWVGTYOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-4.39

Polar Surface Area

58.902

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7618-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7618-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7618-0050?
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What is the minimum amount of 7618-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7618-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7618-0050
  • 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 7618-0050 available by request