1548-0552 Screening compound: N-({N'-[(E)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

1548-0552 Screening compound: N-({N'-[(E)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
1548-0552 Screening compound: N-({N'-[(E)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1548-0552
N-({N'-[(E)-(4-chlorophenyl)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

1548-0552

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C/c(cc1)ccc1Cl

InChI

InChI=1S/C18H16ClN3O4/c19-14-4-1-12(2-5-14)10-21-22-17(23)11-20-18(24)13-3-6-15-16(9-13)26-8-7-25-15/h1-6,9-10H,7-8,11H2,(H,20,24)(H,22,23)

InChI Key

ILCIGFZSFBZOOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.081

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-3.39

Polar Surface Area

75.849

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1548-0552 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 1548-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1548-0552?
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What is the minimum amount of 1548-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1548-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1548-0552
  • 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 1548-0552 available by request