8009-8592 Screening compound: 2-{3-[2-(benzylsulfanyl)acetamido]benzamido}benzoic acid

8009-8592 Screening compound: 2-{3-[2-(benzylsulfanyl)acetamido]benzamido}benzoic acid
8009-8592 Screening compound: 2-{3-[2-(benzylsulfanyl)acetamido]benzamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8592
2-{3-[2-(benzylsulfanyl)acetamido]benzamido}benzoic acid

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

8009-8592

Molecular Formula

C23H20N2O4S (C23 H20 N2 O4 S)

Compound Name

2-{3-[2-(benzylsulfanyl)acetamido]benzamido}benzoic acid

IUPAC name

2-{3-[2-(benzylsulfanyl)acetamido]benzamido}benzoic acid

SMILES

OC(c(cccc1)c1NC(c1cccc(NC(CSCc2ccccc2)=O)c1)=O)=O

InChI

InChI=1S/C23H20N2O4S/c26-21(15-30-14-16-7-2-1-3-8-16)24-18-10-6-9-17(13-18)22(27)25-20-12-5-4-11-19(20)23(28)29/h1-13H,14-15H2,(H,24,26)(H,25,27)(H,28,29)

InChI Key

GQSYSRJPOSZQLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01604689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

0.111

Water Solubility, LogSw

-4.47

Polar Surface Area

73.918

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8009-8592 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-8592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8592?
Check Price and Availability of 8009-8592, 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 8009-8592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8592
  • 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 8009-8592 available by request