5260-0065 Screening compound: 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]benzohydrazide

5260-0065 Screening compound: 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]benzohydrazide
5260-0065 Screening compound: 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5260-0065
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]benzohydrazide

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

5260-0065

Molecular Formula

C23H19N3O5 (C23 H19 N3 O5)

Compound Name

4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]benzohydrazide

IUPAC name

4-{[(2H-13-benzodioxol-5-yl)methyl]amino}-N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]benzohydrazide

SMILES

O=C(c(cc1)ccc1NCc(cc1)cc2c1OCO2)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C23H19N3O5/c27-23(26-25-12-16-2-8-20-22(10-16)31-14-29-20)17-3-5-18(6-4-17)24-11-15-1-7-19-21(9-15)30-13-28-19/h1-10,12,24H,11,13-14H2,(H,26,27)

InChI Key

JIRAYRXQHIYYSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01334936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.28

Polar Surface Area

80.020

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 5260-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5260-0065?
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What is the minimum amount of 5260-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5260-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5260-0065
  • 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 5260-0065 available by request