4789-3120 Screening compound: (2E)-3-(4-propoxyphenyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide

4789-3120 Screening compound: (2E)-3-(4-propoxyphenyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide
4789-3120 Screening compound: (2E)-3-(4-propoxyphenyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3120
(2E)-3-(4-propoxyphenyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}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

4789-3120

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

(2E)-3-(4-propoxyphenyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide

IUPAC name

(2E)-3-(4-propoxyphenyl)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}prop-2-enamide

SMILES

CCCOc1ccc(/C=C/C(Nc(cc2)ccc2S(Nc2ncccn2)(=O)=O)=O)cc1

InChI

InChI=1S/C22H22N4O4S/c1-2-16-30-19-9-4-17(5-10-19)6-13-21(27)25-18-7-11-20(12-8-18)31(28,29)26-22-23-14-3-15-24-22/h3-15H,2,16H2,1H3,(H,25,27)(H,23,24,26)

InChI Key

LBSZKPARMYDWBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

2.607

Water Solubility, LogSw

-3.70

Polar Surface Area

91.753

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4789-3120 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4789-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3120?
Check Price and Availability of 4789-3120, 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 4789-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3120
  • 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 4789-3120 available by request