1286-0086 Screening compound: N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

1286-0086 Screening compound: N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
1286-0086 Screening compound: N-({N'-[(E)-(3-bromophenyl)methylidene]hydrazinecarbonyl}methyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0086
N-({N'-[(E)-(3-bromophenyl)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

1286-0086

Molecular Formula

C18H16BrN3O4 (C18 H16 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H16BrN3O4/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

KEOSIUJMIBTZQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00612964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.25

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

2.436

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.97

Polar Surface Area

75.849

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1286-0086 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 1286-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0086?
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What is the minimum amount of 1286-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0086
  • 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 1286-0086 available by request