1072-0151 Screening compound: N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide

1072-0151 Screening compound: N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide
1072-0151 Screening compound: N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1072-0151
N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]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

1072-0151

Molecular Formula

C20H22N4O8 (C20 H22 N4 O8)

Compound Name

N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-3,4-dimethoxybenzamide

IUPAC name

N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-34-dimethoxybenzamide

SMILES

CCOc1cc(/C=N/NC(CNC(c(cc2)cc(OC)c2OC)=O)=O)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C20H22N4O8/c1-4-32-17-8-12(7-14(19(17)26)24(28)29)10-22-23-18(25)11-21-20(27)13-5-6-15(30-2)16(9-13)31-3/h5-10,26H,4,11H2,1-3H3,(H,21,27)(H,23,25)

InChI Key

OQTHKWJSIRWBQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00324921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

1.774

Water Solubility, LogSw

-2.77

Polar Surface Area

131.057

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1072-0151 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 1072-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1072-0151?
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What is the minimum amount of 1072-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1072-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1072-0151
  • 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 1072-0151 available by request