4430-0132 Screening compound: N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

4430-0132 Screening compound: N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
4430-0132 Screening compound: N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4430-0132
N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

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

4430-0132

Molecular Formula

C16H16N2O5S (C16 H16 N2 O5 S)

Compound Name

N'-(4-methylbenzenesulfonyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide

IUPAC name

N'-(4-methylbenzenesulfonyl)-23-dihydro-14-benzodioxine-2-carbohydrazide

SMILES

Cc(cc1)ccc1S(NNC(C1Oc(cccc2)c2OC1)=O)(=O)=O

InChI

InChI=1S/C16H16N2O5S/c1-11-6-8-12(9-7-11)24(20,21)18-17-16(19)15-10-22-13-4-2-3-5-14(13)23-15/h2-9,15,18H,10H2,1H3,(H,17,19)/t15-/m0/s1

InChI Key

NIBQRUYVQIQXHJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02236114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-2.75

Polar Surface Area

82.146

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

4430-0132 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4430-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4430-0132?
Check Price and Availability of 4430-0132, 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 4430-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4430-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4430-0132
  • 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 4430-0132 available by request