5596-0449 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

5596-0449 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
5596-0449 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0449
(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

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

5596-0449

Molecular Formula

C22H22N2O3S (C22 H22 N2 O3 S)

Compound Name

(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide

IUPAC name

(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylphenyl)-13-thiazol-2-yl]prop-2-enamide

SMILES

CCOc(ccc(/C=C/C(Nc1nc(-c2ccc(C)cc2)cs1)=O)c1)c1OC

InChI

InChI=1S/C22H22N2O3S/c1-4-27-19-11-7-16(13-20(19)26-3)8-12-21(25)24-22-23-18(14-28-22)17-9-5-15(2)6-10-17/h5-14H,4H2,1-3H3,(H,23,24,25)

InChI Key

VCHAVYUDYFCFLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.869

Distribution Coefficient, logD

5.869

Water Solubility, LogSw

-5.48

Polar Surface Area

47.732

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5596-0449 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5596-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0449?
Check Price and Availability of 5596-0449, 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 5596-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0449
  • 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 5596-0449 available by request