8004-1226 Screening compound: 2-ethoxy-4-[(E)-({2-[(4-methylphenyl)amino]acetamido}imino)methyl]phenyl benzoate

8004-1226 Screening compound: 2-ethoxy-4-[(E)-({2-[(4-methylphenyl)amino]acetamido}imino)methyl]phenyl benzoate
8004-1226 Screening compound: 2-ethoxy-4-[(E)-({2-[(4-methylphenyl)amino]acetamido}imino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1226
2-ethoxy-4-[(E)-({2-[(4-methylphenyl)amino]acetamido}imino)methyl]phenyl benzoate

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

8004-1226

Molecular Formula

C25H25N3O4 (C25 H25 N3 O4)

Compound Name

2-ethoxy-4-[(E)-({2-[(4-methylphenyl)amino]acetamido}imino)methyl]phenyl benzoate

IUPAC name

2-ethoxy-4-[(E)-({2-[(4-methylphenyl)amino]acetamido}imino)methyl]phenyl benzoate

SMILES

CCOc(cc(/C=N/NC(CNc1ccc(C)cc1)=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C25H25N3O4/c1-3-31-23-15-19(11-14-22(23)32-25(30)20-7-5-4-6-8-20)16-27-28-24(29)17-26-21-12-9-18(2)10-13-21/h4-16,26H,3,17H2,1-2H3,(H,28,29)

InChI Key

ORYFEWKXGZHWTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.54

Polar Surface Area

73.522

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8004-1226 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 8004-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1226?
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What is the minimum amount of 8004-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1226
  • 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 8004-1226 available by request