2236-0163 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide

2236-0163 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide
2236-0163 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2236-0163
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(2-methyl-1,3-dioxolan-2-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

2236-0163

Molecular Formula

C14H17BrN2O5 (C14 H17 BrN2 O5)

Compound Name

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(2-methyl-1,3-dioxolan-2-yl)acetohydrazide

IUPAC name

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(2-methyl-13-dioxolan-2-yl)acetohydrazide

SMILES

CC1(CC(N/N=C/c(cc2OC)cc(Br)c2O)=O)OCCO1

InChI

InChI=1S/C14H17BrN2O5/c1-14(21-3-4-22-14)7-12(18)17-16-8-9-5-10(15)13(19)11(6-9)20-2/h5-6,8,19H,3-4,7H2,1-2H3,(H,17,18)

InChI Key

MSWIIHQDWVEILY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.703

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-1.91

Polar Surface Area

74.583

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

2236-0163 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 2236-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2236-0163?
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What is the minimum amount of 2236-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2236-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2236-0163
  • 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 2236-0163 available by request