2453-3251 Screening compound: 2-{4-[(E)-{[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]imino}methyl]-2-methoxyphenoxy}acetamide

2453-3251 Screening compound: 2-{4-[(E)-{[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]imino}methyl]-2-methoxyphenoxy}acetamide
2453-3251 Screening compound: 2-{4-[(E)-{[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]imino}methyl]-2-methoxyphenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2453-3251
2-{4-[(E)-{[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]imino}methyl]-2-methoxyphenoxy}acetamide

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

2453-3251

Molecular Formula

C19H19N3O7 (C19 H19 N3 O7)

Compound Name

2-{4-[(E)-{[2-(2H-1,3-benzodioxol-5-yloxy)acetamido]imino}methyl]-2-methoxyphenoxy}acetamide

IUPAC name

2-{4-[(E)-{[2-(2H-13-benzodioxol-5-yloxy)acetamido]imino}methyl]-2-methoxyphenoxy}acetamide

SMILES

COc(cc(/C=N/NC(COc(cc1)cc2c1OCO2)=O)cc1)c1OCC(N)=O

InChI

InChI=1S/C19H19N3O7/c1-25-16-6-12(2-4-14(16)27-9-18(20)23)8-21-22-19(24)10-26-13-3-5-15-17(7-13)29-11-28-15/h2-8H,9-11H2,1H3,(H2,20,23)(H,22,24)

InChI Key

WWHJATKCULUFNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.886

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-2.02

Polar Surface Area

108.559

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 2453-3251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2453-3251?
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What is the minimum amount of 2453-3251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2453-3251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2453-3251
  • 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 2453-3251 available by request