8003-6873 Screening compound: N'~6~-[(E)-1-(4,5-dibromo-2-furyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

8003-6873 Screening compound: N'~6~-[(E)-1-(4,5-dibromo-2-furyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
8003-6873 Screening compound: N'~6~-[(E)-1-(4,5-dibromo-2-furyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6873
N'~6~-[(E)-1-(4,5-dibromo-2-furyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-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

8003-6873

Molecular Formula

C14H10Br2N2O4 (C14 H10 Br2 N2 O4)

Compound Name

N'~6~-[(E)-1-(4,5-dibromo-2-furyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

IUPAC name

N'-[(E)-(45-dibromofuran-2-yl)methylidene]-23-dihydro-14-benzodioxine-6-carbohydrazide

SMILES

O=C(c(cc1)cc2c1OCCO2)N/N=C/c(o1)cc(Br)c1Br

InChI

InChI=1S/C14H10Br2N2O4/c15-10-6-9(22-13(10)16)7-17-18-14(19)8-1-2-11-12(5-8)21-4-3-20-11/h1-2,5-7H,3-4H2,(H,18,19)

InChI Key

NBSXJRVUFKLMBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

2.971

Water Solubility, LogSw

-3.35

Polar Surface Area

59.707

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8003-6873 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-6873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6873?
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What is the minimum amount of 8003-6873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6873
  • 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 8003-6873 available by request