1286-0054 Screening compound: N-({N'-[(E)-(3-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

1286-0054 Screening compound: N-({N'-[(E)-(3-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
1286-0054 Screening compound: N-({N'-[(E)-(3-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0054
N-({N'-[(E)-(3-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

1286-0054

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

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

IUPAC name

N-({N'-[(E)-(3-chlorophenyl)methylidene]hydrazinecarbonyl}methyl)-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C/c1cccc(Cl)c1

InChI

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

InChI Key

IHYAGWMIABOTBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00612914

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

2.193

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-3.42

Polar Surface Area

75.849

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1286-0054 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 1286-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0054?
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What is the minimum amount of 1286-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0054
  • 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 1286-0054 available by request