8006-9308 Screening compound: N-({N'-[(E)-{4-[(2-chlorophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

8006-9308 Screening compound: N-({N'-[(E)-{4-[(2-chlorophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
8006-9308 Screening compound: N-({N'-[(E)-{4-[(2-chlorophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9308
N-({N'-[(E)-{4-[(2-chlorophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

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

8006-9308

Molecular Formula

C25H22ClN3O5 (C25 H22 ClN3 O5)

Compound Name

N-({N'-[(E)-{4-[(2-chlorophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-({N'-[(E)-{4-[(2-chlorophenyl)methoxy]phenyl}methylidene]hydrazinecarbonyl}methyl)-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C/c(cc1)ccc1OCc(cccc1)c1Cl

InChI

InChI=1S/C25H22ClN3O5/c26-21-4-2-1-3-19(21)16-34-20-8-5-17(6-9-20)14-28-29-24(30)15-27-25(31)18-7-10-22-23(13-18)33-12-11-32-22/h1-10,13-14H,11-12,15-16H2,(H,27,31)(H,29,30)

InChI Key

BWMHVUPQMKIEJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.81

Polar Surface Area

83.076

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8006-9308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9308?
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What is the minimum amount of 8006-9308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9308
  • 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 8006-9308 available by request