8006-8834 Screening compound: N'-(4-methylbenzenesulfonyl)-2-({[2-(4-methylphenoxy)ethyl]carbamothioyl}sulfanyl)acetohydrazide

8006-8834 Screening compound: N'-(4-methylbenzenesulfonyl)-2-({[2-(4-methylphenoxy)ethyl]carbamothioyl}sulfanyl)acetohydrazide
8006-8834 Screening compound: N'-(4-methylbenzenesulfonyl)-2-({[2-(4-methylphenoxy)ethyl]carbamothioyl}sulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8834
N'-(4-methylbenzenesulfonyl)-2-({[2-(4-methylphenoxy)ethyl]carbamothioyl}sulfanyl)acetohydrazide

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

8006-8834

Molecular Formula

C19H23N3O4S3 (C19 H23 N3 O4 S3)

Compound Name

N'-(4-methylbenzenesulfonyl)-2-({[2-(4-methylphenoxy)ethyl]carbamothioyl}sulfanyl)acetohydrazide

IUPAC name

N'-(4-methylbenzenesulfonyl)-2-({[2-(4-methylphenoxy)ethyl]carbamothioyl}sulfanyl)acetohydrazide

SMILES

Cc(cc1)ccc1OCCNC(SCC(NNS(c1ccc(C)cc1)(=O)=O)=O)=S

InChI

InChI=1S/C19H23N3O4S3/c1-14-3-7-16(8-4-14)26-12-11-20-19(27)28-13-18(23)21-22-29(24,25)17-9-5-15(2)6-10-17/h3-10,22H,11-13H2,1-2H3,(H,20,27)(H,21,23)

InChI Key

ZOFNQHOQCILLRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.43

Polar Surface Area

84.383

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8006-8834 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-8834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8834?
Check Price and Availability of 8006-8834, 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 8006-8834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8834
  • 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 8006-8834 available by request