1286-0201 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-chlorobenzamide

1286-0201 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-chlorobenzamide
1286-0201 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0201
N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-chlorobenzamide

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

1286-0201

Molecular Formula

C17H14ClN3O4 (C17 H14 ClN3 O4)

Compound Name

N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-chlorobenzamide

IUPAC name

N-({N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-2-chlorobenzamide

SMILES

O=C(CNC(c(cccc1)c1Cl)=O)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C17H14ClN3O4/c18-13-4-2-1-3-12(13)17(23)19-9-16(22)21-20-8-11-5-6-14-15(7-11)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22)

InChI Key

KCZBESDGBDDEFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00997072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

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

3.241

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.78

Polar Surface Area

77.141

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1286-0201 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 1286-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0201?
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What is the minimum amount of 1286-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0201
  • 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 1286-0201 available by request