8008-2590 Screening compound: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamide

8008-2590 Screening compound: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamide
8008-2590 Screening compound: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2590
N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3,5-dimethylphenyl)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

8008-2590

Molecular Formula

C25H25N3O3S3 (C25 H25 N3 O3 S3)

Compound Name

N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamide

IUPAC name

N-[2-(13-benzothiazol-2-ylsulfanyl)ethyl]-2-[N-(35-dimethylphenyl)benzenesulfonamido]acetamide

SMILES

Cc1cc(N(CC(NCCSc2nc(cccc3)c3s2)=O)S(c2ccccc2)(=O)=O)cc(C)c1

InChI

InChI=1S/C25H25N3O3S3/c1-18-14-19(2)16-20(15-18)28(34(30,31)21-8-4-3-5-9-21)17-24(29)26-12-13-32-25-27-22-10-6-7-11-23(22)33-25/h3-11,14-16H,12-13,17H2,1-2H3,(H,26,29)

InChI Key

SRBPGRMDZIHBCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01058313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.69

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

5.350

Distribution Coefficient, logD

5.350

Water Solubility, LogSw

-5.26

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

20.00

8008-2590 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-2590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2590?
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What is the minimum amount of 8008-2590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2590
  • 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 8008-2590 available by request