8003-3619 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide

8003-3619 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
8003-3619 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3619
N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,5,6-trimethylpyridin-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

8003-3619

Molecular Formula

C18H16N4OS2 (C18 H16 N4 OS2)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-[(3-cyano-456-trimethylpyridin-2-yl)sulfanyl]acetamide

SMILES

Cc(c(C)c1C#N)c(C)nc1SCC(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C18H16N4OS2/c1-10-11(2)13(8-19)17(20-12(10)3)24-9-16(23)22-18-21-14-6-4-5-7-15(14)25-18/h4-7H,9H2,1-3H3,(H,21,22,23)

InChI Key

DDLVADKFPTZSBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.41

Polar Surface Area

59.258

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8003-3619 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-3619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3619?
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What is the minimum amount of 8003-3619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3619
  • 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 8003-3619 available by request