1286-0206 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-methoxybenzamide

1286-0206 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-methoxybenzamide
1286-0206 Screening compound: N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1286-0206
N-({N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinecarbonyl}methyl)-3-methoxybenzamide

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

1286-0206

Molecular Formula

C18H17N3O5 (C18 H17 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(NCC(N/N=C/c(cc2)cc3c2OCO3)=O)=O)c1

InChI

InChI=1S/C18H17N3O5/c1-24-14-4-2-3-13(8-14)18(23)19-10-17(22)21-20-9-12-5-6-15-16(7-12)26-11-25-15/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)

InChI Key

JODMAFBLAIXYKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.95

Polar Surface Area

84.685

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1286-0206 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1286-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1286-0206?
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What is the minimum amount of 1286-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1286-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1286-0206
  • 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 1286-0206 available by request