1522-0033 Screening compound: (E)-2-(acetylamino)-3-(4-ethoxyphenyl)-2-propenoic acid

1522-0033 Screening compound: (E)-2-(acetylamino)-3-(4-ethoxyphenyl)-2-propenoic acid
1522-0033 Screening compound: (E)-2-(acetylamino)-3-(4-ethoxyphenyl)-2-propenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1522-0033
(E)-2-(acetylamino)-3-(4-ethoxyphenyl)-2-propenoic 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

1522-0033

Molecular Formula

C13H15NO4 (C13 H15 NO4)

Compound Name

(E)-2-(acetylamino)-3-(4-ethoxyphenyl)-2-propenoic acid

IUPAC name

(2E)-2-acetamido-3-(4-ethoxyphenyl)prop-2-enoic acid

SMILES

CCOc1ccc(/C=C(\C(O)=O)/NC(C)=O)cc1

InChI

InChI=1S/C13H15NO4/c1-3-18-11-6-4-10(5-7-11)8-12(13(16)17)14-9(2)15/h4-8H,3H2,1-2H3,(H,14,15)(H,16,17)

InChI Key

LSNPIFRBNKQULM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

-1.417

Water Solubility, LogSw

-2.01

Polar Surface Area

57.865

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

1522-0033 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1522-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1522-0033?
Check Price and Availability of 1522-0033, 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 1522-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1522-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1522-0033
  • 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 1522-0033 available by request