1286-0203 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-fluorobenzamide

1286-0203 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-fluorobenzamide
1286-0203 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0203
N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-fluorobenzamide

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

1286-0203

Molecular Formula

C17H14FN3O4 (C17 H14 FN3 O4)

Compound Name

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

IUPAC name

N-({N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-fluorobenzamide

SMILES

O=C(CNC(c1cccc(F)c1)=O)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C17H14FN3O4/c18-13-3-1-2-12(7-13)17(23)19-9-16(22)21-20-8-11-4-5-14-15(6-11)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22)

InChI Key

BNZARZHEVPIQMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00734035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.31

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

2.611

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-3.02

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

1286-0203 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 1286-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0203?
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What is the minimum amount of 1286-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0203
  • 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 1286-0203 available by request