5581-0042 Screening compound: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine

5581-0042 Screening compound: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
5581-0042 Screening compound: (E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5581-0042
(E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine

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

5581-0042

Molecular Formula

C10H11NO3 (C10 H11 NO3)

Compound Name

(E)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine

IUPAC name

(E)-N-[1-(23-dihydro-14-benzodioxin-6-yl)ethylidene]hydroxylamine

SMILES

C/C(/c(cc1)cc2c1OCCO2)=N\O

InChI

InChI=1S/C10H11NO3/c1-7(11-12)8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6,12H,4-5H2,1H3

InChI Key

OVZBNCGFDLVCLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03058088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

193.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.846

Distribution Coefficient, logD

0.846

Water Solubility, LogSw

-1.44

Polar Surface Area

45.254

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5581-0042 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5581-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5581-0042?
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What is the minimum amount of 5581-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5581-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5581-0042
  • 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 5581-0042 available by request