8009-0202 Screening compound: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3-methylphenyl)benzenesulfonamido]acetamide

8009-0202 Screening compound: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3-methylphenyl)benzenesulfonamido]acetamide
8009-0202 Screening compound: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3-methylphenyl)benzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0202
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3-methylphenyl)benzenesulfonamido]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

8009-0202

Molecular Formula

C24H23N3O3S3 (C24 H23 N3 O3 S3)

Compound Name

N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3-methylphenyl)benzenesulfonamido]acetamide

IUPAC name

N-[2-(13-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3-methylphenyl)benzenesulfonamido]acetamide

SMILES

Cc1cccc(N(CC(NCCSc2nc(cccc3)c3s2)=O)S(c2ccccc2)(=O)=O)c1

InChI

InChI=1S/C24H23N3O3S3/c1-18-8-7-9-19(16-18)27(33(29,30)20-10-3-2-4-11-20)17-23(28)25-14-15-31-24-26-21-12-5-6-13-22(21)32-24/h2-13,16H,14-15,17H2,1H3,(H,25,28)

InChI Key

BAHFJRRGKFKXAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01154356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-4.60

Polar Surface Area

65.187

Acid Dissociation Constant (pKa)

15.20

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8009-0202 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8009-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0202?
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What is the minimum amount of 8009-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0202
  • 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 8009-0202 available by request