8006-5022 Screening compound: N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

8006-5022 Screening compound: N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
8006-5022 Screening compound: N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5022
N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(2-phenylethyl)-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

8006-5022

Molecular Formula

C26H27N3O6S (C26 H27 N3 O6 S)

Compound Name

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

IUPAC name

N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(2-phenylethyl)-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

COc1ccc(/C=N/NC(CN(CCc2ccccc2)S(c(cc2)cc3c2OCCO3)(=O)=O)=O)cc1

InChI

InChI=1S/C26H27N3O6S/c1-33-22-9-7-21(8-10-22)18-27-28-26(30)19-29(14-13-20-5-3-2-4-6-20)36(31,32)23-11-12-24-25(17-23)35-16-15-34-24/h2-12,17-18H,13-16,19H2,1H3,(H,28,30)

InChI Key

IHBIMEMNOJDIJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00684442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.009

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.61

Polar Surface Area

90.062

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 8006-5022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5022?
Check Price and Availability of 8006-5022, 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 8006-5022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5022
  • 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 8006-5022 available by request