5590-0069 Screening compound: 4-[(2E)-3-(3,4-diethoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid

5590-0069 Screening compound: 4-[(2E)-3-(3,4-diethoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid
5590-0069 Screening compound: 4-[(2E)-3-(3,4-diethoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5590-0069
4-[(2E)-3-(3,4-diethoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic 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

5590-0069

Molecular Formula

C28H28N2O7 (C28 H28 N2 O7)

Compound Name

4-[(2E)-3-(3,4-diethoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid

IUPAC name

4-[(2E)-3-(34-diethoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid

SMILES

CCOc(ccc(/C=C(\C(Nc(cc1)ccc1C(O)=O)=O)/NC(c(cc1)ccc1OC)=O)c1)c1OCC

InChI

InChI=1S/C28H28N2O7/c1-4-36-24-15-6-18(17-25(24)37-5-2)16-23(30-26(31)19-9-13-22(35-3)14-10-19)27(32)29-21-11-7-20(8-12-21)28(33)34/h6-17H,4-5H2,1-3H3,(H,29,32)(H,30,31)(H,33,34)

InChI Key

GKTNTFHEQOGNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-4.19

Polar Surface Area

95.627

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

5590-0069 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5590-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5590-0069?
Check Price and Availability of 5590-0069, 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 5590-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5590-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5590-0069
  • 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 5590-0069 available by request