2180-0094 Screening compound: 4-[(E)-{[2-(4-methoxyphenoxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate

2180-0094 Screening compound: 4-[(E)-{[2-(4-methoxyphenoxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate
2180-0094 Screening compound: 4-[(E)-{[2-(4-methoxyphenoxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2180-0094
4-[(E)-{[2-(4-methoxyphenoxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate

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

2180-0094

Molecular Formula

C26H24Cl2N2O6 (C26 H24 Cl2 N2 O6)

Compound Name

4-[(E)-{[2-(4-methoxyphenoxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate

IUPAC name

4-[(E)-{[2-(4-methoxyphenoxy)acetamido]imino}methyl]phenyl 4-(24-dichlorophenoxy)butanoate

SMILES

COc(cc1)ccc1OCC(N/N=C/c(cc1)ccc1OC(CCCOc(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C26H24Cl2N2O6/c1-33-20-9-11-21(12-10-20)35-17-25(31)30-29-16-18-4-7-22(8-5-18)36-26(32)3-2-14-34-24-13-6-19(27)15-23(24)28/h4-13,15-16H,2-3,14,17H2,1H3,(H,30,31)

InChI Key

FDYBKKYVYWAXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.358

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-6.06

Polar Surface Area

77.671

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2180-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2180-0094?
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What is the minimum amount of 2180-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2180-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2180-0094
  • 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 2180-0094 available by request