2240-0536 Screening compound: 2-(4-chlorophenoxy)-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide

2240-0536 Screening compound: 2-(4-chlorophenoxy)-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide
2240-0536 Screening compound: 2-(4-chlorophenoxy)-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2240-0536
2-(4-chlorophenoxy)-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide

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

2240-0536

Molecular Formula

C16H12ClN3O6 (C16 H12 ClN3 O6)

Compound Name

2-(4-chlorophenoxy)-N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]acetohydrazide

IUPAC name

2-(4-chlorophenoxy)-N'-[(E)-(6-nitro-2H-13-benzodioxol-5-yl)methylidene]acetohydrazide

SMILES

[O-][N+](c1c(/C=N/NC(COc(cc2)ccc2Cl)=O)cc2OCOc2c1)=O

InChI

InChI=1S/C16H12ClN3O6/c17-11-1-3-12(4-2-11)24-8-16(21)19-18-7-10-5-14-15(26-9-25-14)6-13(10)20(22)23/h1-7H,8-9H2,(H,19,21)

InChI Key

XTODKKSXBFDPGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.78

Polar Surface Area

93.036

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

2240-0536 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2240-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2240-0536?
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What is the minimum amount of 2240-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2240-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2240-0536
  • 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 2240-0536 available by request