2181-0734 Screening compound: 2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

2181-0734 Screening compound: 2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate
2181-0734 Screening compound: 2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0734
2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

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

2181-0734

Molecular Formula

C26H27N3O6 (C26 H27 N3 O6)

Compound Name

2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

2-[(E)-({2-[(2-methylphenyl)amino]acetamido}imino)methyl]phenyl 345-trimethoxybenzoate

SMILES

Cc(cccc1)c1NCC(N/N=C/c(cccc1)c1OC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C26H27N3O6/c1-17-9-5-7-11-20(17)27-16-24(30)29-28-15-18-10-6-8-12-21(18)35-26(31)19-13-22(32-2)25(34-4)23(14-19)33-3/h5-15,27H,16H2,1-4H3,(H,29,30)

InChI Key

SPRLMTUJLIXPHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00314811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.16

Polar Surface Area

88.591

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2181-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0734?
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What is the minimum amount of 2181-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0734
  • 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 2181-0734 available by request