1889-3451 Screening compound: 4-{[2-(2-ethoxyphenoxy)acetamido]imino}-4-phenylbutanoic acid

1889-3451 Screening compound: 4-{[2-(2-ethoxyphenoxy)acetamido]imino}-4-phenylbutanoic acid
1889-3451 Screening compound: 4-{[2-(2-ethoxyphenoxy)acetamido]imino}-4-phenylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-3451
4-{[2-(2-ethoxyphenoxy)acetamido]imino}-4-phenylbutanoic acid

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

1889-3451

Molecular Formula

C20H22N2O5 (C20 H22 N2 O5)

Compound Name

4-{[2-(2-ethoxyphenoxy)acetamido]imino}-4-phenylbutanoic acid

IUPAC name

4-{[2-(2-ethoxyphenoxy)acetamido]imino}-4-phenylbutanoic acid

SMILES

CCOc(cccc1)c1OCC(NN=C(CCC(O)=O)c1ccccc1)=O

InChI

InChI=1S/C20H22N2O5/c1-2-26-17-10-6-7-11-18(17)27-14-19(23)22-21-16(12-13-20(24)25)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,22,23)(H,24,25)

InChI Key

JBLRUELRAORVSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

-0.032

Water Solubility, LogSw

-2.95

Polar Surface Area

78.120

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1889-3451 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1889-3451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-3451?
Check Price and Availability of 1889-3451, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1889-3451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-3451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-3451
  • 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 1889-3451 available by request