1072-0022 Screening compound: 3,4-dimethoxy-N-({N'-[(E)-(3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

1072-0022 Screening compound: 3,4-dimethoxy-N-({N'-[(E)-(3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
1072-0022 Screening compound: 3,4-dimethoxy-N-({N'-[(E)-(3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1072-0022
3,4-dimethoxy-N-({N'-[(E)-(3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

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

1072-0022

Molecular Formula

C18H18N4O6 (C18 H18 N4 O6)

Compound Name

3,4-dimethoxy-N-({N'-[(E)-(3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

34-dimethoxy-N-({N'-[(E)-(3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

COc(ccc(C(NCC(N/N=C/c1cccc([N+]([O-])=O)c1)=O)=O)c1)c1OC

InChI

InChI=1S/C18H18N4O6/c1-27-15-7-6-13(9-16(15)28-2)18(24)19-11-17(23)21-20-10-12-4-3-5-14(8-12)22(25)26/h3-10H,11H2,1-2H3,(H,19,24)(H,21,23)

InChI Key

YGYOZKXBHNFSDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00350444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.72

Polar Surface Area

108.668

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 1072-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1072-0022?
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What is the minimum amount of 1072-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1072-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1072-0022
  • 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 1072-0022 available by request