8006-7534 Screening compound: N-benzyl-N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

8006-7534 Screening compound: N-benzyl-N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
8006-7534 Screening compound: N-benzyl-N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7534
N-benzyl-N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

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

8006-7534

Molecular Formula

C24H22BrN3O5S (C24 H22 BrN3 O5 S)

Compound Name

N-benzyl-N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-benzyl-N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

O=C(CN(Cc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C/c1cccc(Br)c1

InChI

InChI=1S/C24H22BrN3O5S/c25-20-8-4-7-19(13-20)15-26-27-24(29)17-28(16-18-5-2-1-3-6-18)34(30,31)21-9-10-22-23(14-21)33-12-11-32-22/h1-10,13-15H,11-12,16-17H2,(H,27,29)

InChI Key

DTBXNIXIWQNENO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00684408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-4.03

Polar Surface Area

82.539

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8006-7534 in Drug Discovery

Included in Screening Libraries

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 8006-7534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7534?
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What is the minimum amount of 8006-7534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7534
  • 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 8006-7534 available by request