8004-1154 Screening compound: 2-(4-ethylphenoxy)-N'~1~-[(E)-1-(2-morpholino-5-nitrophenyl)methylidene]acetohydrazide

8004-1154 Screening compound: 2-(4-ethylphenoxy)-N'~1~-[(E)-1-(2-morpholino-5-nitrophenyl)methylidene]acetohydrazide
8004-1154 Screening compound: 2-(4-ethylphenoxy)-N'~1~-[(E)-1-(2-morpholino-5-nitrophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1154
2-(4-ethylphenoxy)-N'~1~-[(E)-1-(2-morpholino-5-nitrophenyl)methylidene]acetohydrazide

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

8004-1154

Molecular Formula

C21H24N4O5 (C21 H24 N4 O5)

Compound Name

2-(4-ethylphenoxy)-N'~1~-[(E)-1-(2-morpholino-5-nitrophenyl)methylidene]acetohydrazide

IUPAC name

2-(4-ethylphenoxy)-N'-[(E)-[2-(morpholin-4-yl)-5-nitrophenyl]methylidene]acetohydrazide

SMILES

CCc(cc1)ccc1OCC(N/N=C/c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1)=O

InChI

InChI=1S/C21H24N4O5/c1-2-16-3-6-19(7-4-16)30-15-21(26)23-22-14-17-13-18(25(27)28)5-8-20(17)24-9-11-29-12-10-24/h3-8,13-14H,2,9-12,15H2,1H3,(H,23,26)

InChI Key

BHSUYXJASJNFAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00342461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-3.97

Polar Surface Area

87.282

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8004-1154 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1154?
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What is the minimum amount of 8004-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1154
  • 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 8004-1154 available by request