8005-5498 Screening compound: N'-[(E)-{4-[methyl(phenyl)amino]phenyl}methylidene]-2-(phenylsulfanyl)acetohydrazide

8005-5498 Screening compound: N'-[(E)-{4-[methyl(phenyl)amino]phenyl}methylidene]-2-(phenylsulfanyl)acetohydrazide
8005-5498 Screening compound: N'-[(E)-{4-[methyl(phenyl)amino]phenyl}methylidene]-2-(phenylsulfanyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5498
N'-[(E)-{4-[methyl(phenyl)amino]phenyl}methylidene]-2-(phenylsulfanyl)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

8005-5498

Molecular Formula

C22H21N3OS (C22 H21 N3 OS)

Compound Name

N'-[(E)-{4-[methyl(phenyl)amino]phenyl}methylidene]-2-(phenylsulfanyl)acetohydrazide

IUPAC name

N'-[(E)-{4-[methyl(phenyl)amino]phenyl}methylidene]-2-(phenylsulfanyl)acetohydrazide

SMILES

CN(c1ccccc1)c1ccc(/C=N/NC(CSc2ccccc2)=O)cc1

InChI

InChI=1S/C22H21N3OS/c1-25(19-8-4-2-5-9-19)20-14-12-18(13-15-20)16-23-24-22(26)17-27-21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,24,26)

InChI Key

VYNYRXJLAPXQGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00361444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.01

Polar Surface Area

37.514

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8005-5498 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8005-5498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5498?
Check Price and Availability of 8005-5498, 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 8005-5498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5498
  • 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 8005-5498 available by request