2180-0212 Screening compound: 4-[(E)-{[2-(naphthalen-1-yloxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate

2180-0212 Screening compound: 4-[(E)-{[2-(naphthalen-1-yloxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate
2180-0212 Screening compound: 4-[(E)-{[2-(naphthalen-1-yloxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2180-0212
4-[(E)-{[2-(naphthalen-1-yloxy)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

2180-0212

Molecular Formula

C29H24Cl2N2O5 (C29 H24 Cl2 N2 O5)

Compound Name

4-[(E)-{[2-(naphthalen-1-yloxy)acetamido]imino}methyl]phenyl 4-(2,4-dichlorophenoxy)butanoate

IUPAC name

4-[(E)-{[2-(naphthalen-1-yloxy)acetamido]imino}methyl]phenyl 4-(24-dichlorophenoxy)butanoate

SMILES

O=C(COc1cccc2ccccc12)N/N=C/c(cc1)ccc1OC(CCCOc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C29H24Cl2N2O5/c30-22-12-15-27(25(31)17-22)36-16-4-9-29(35)38-23-13-10-20(11-14-23)18-32-33-28(34)19-37-26-8-3-6-21-5-1-2-7-24(21)26/h1-3,5-8,10-15,17-18H,4,9,16,19H2,(H,33,34)

InChI Key

DTUHHJQAQMXIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.900

Distribution Coefficient, logD

6.899

Water Solubility, LogSw

-6.85

Polar Surface Area

69.942

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with 2180-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2180-0212?
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What is the minimum amount of 2180-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2180-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2180-0212
  • 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 2180-0212 available by request