4489-8535 Screening compound: 2-thiophenecarbaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

4489-8535 Screening compound: 2-thiophenecarbaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone
4489-8535 Screening compound: 2-thiophenecarbaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-8535
2-thiophenecarbaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

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

4489-8535

Molecular Formula

C12H9N3O2S2 (C12 H9 N3 O2 S2)

Compound Name

2-thiophenecarbaldehyde 2-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)hydrazone

IUPAC name

3-[(2E)-2-[(thiophen-2-yl)methylidene]hydrazin-1-yl]-1lambda62-benzothiazole-11-dione

SMILES

O=S(c1c2cccc1)(N=C2N/N=C/c1cccs1)=O

InChI

InChI=1S/C12H9N3O2S2/c16-19(17)11-6-2-1-5-10(11)12(15-19)14-13-8-9-4-3-7-18-9/h1-8H,(H,14,15)

InChI Key

MRWRDNMNWFHKLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02044255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.108

Water Solubility, LogSw

-2.82

Polar Surface Area

64.087

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4489-8535 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4489-8535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-8535?
Check Price and Availability of 4489-8535, 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 4489-8535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-8535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-8535
  • 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 4489-8535 available by request