1072-0058 Screening compound: N-({N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide

1072-0058 Screening compound: N-({N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide
1072-0058 Screening compound: N-({N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1072-0058
N-({N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide

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

1072-0058

Molecular Formula

C21H25N3O6 (C21 H25 N3 O6)

Compound Name

N-({N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide

IUPAC name

N-({N'-[(1E)-1-(34-dimethoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)-34-dimethoxybenzamide

SMILES

C/C(/c(cc1)cc(OC)c1OC)=N\NC(CNC(c(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C21H25N3O6/c1-13(14-6-8-16(27-2)18(10-14)29-4)23-24-20(25)12-22-21(26)15-7-9-17(28-3)19(11-15)30-5/h6-11H,12H2,1-5H3,(H,22,26)(H,24,25)

InChI Key

MWZXRNJONPDQNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00338816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.63

Polar Surface Area

89.835

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

1072-0058 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1072-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1072-0058?
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What is the minimum amount of 1072-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1072-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1072-0058
  • 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 1072-0058 available by request