4994-0543 Screening compound: N'-[(E)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide

4994-0543 Screening compound: N'-[(E)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide
4994-0543 Screening compound: N'-[(E)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4994-0543
N'-[(E)-(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)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

4994-0543

Molecular Formula

C18H13ClN4O4 (C18 H13 ClN4 O4)

Compound Name

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

IUPAC name

N'-[(E)-(6-chloro-2H-13-benzodioxol-5-yl)methylidene]-2-(4-oxo-34-dihydrophthalazin-1-yl)acetohydrazide

SMILES

O=C(CC(c1c2cccc1)=NNC2=O)N/N=C/c(cc1OCOc1c1)c1Cl

InChI

InChI=1S/C18H13ClN4O4/c19-13-6-16-15(26-9-27-16)5-10(13)8-20-22-17(24)7-14-11-3-1-2-4-12(11)18(25)23-21-14/h1-6,8H,7,9H2,(H,22,24)(H,23,25)

InChI Key

NNSVMLWDSGDMEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.390

Distribution Coefficient, logD

2.389

Water Solubility, LogSw

-3.55

Polar Surface Area

88.751

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4994-0543 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4994-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4994-0543?
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What is the minimum amount of 4994-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4994-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4994-0543
  • 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 4994-0543 available by request