3976-0073 Screening compound: 4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(quinoxalin-2-yl)benzene-1-sulfonamide

3976-0073 Screening compound: 4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(quinoxalin-2-yl)benzene-1-sulfonamide
3976-0073 Screening compound: 4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(quinoxalin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3976-0073
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(quinoxalin-2-yl)benzene-1-sulfonamide

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

3976-0073

Molecular Formula

C24H20N4O4S (C24 H20 N4 O4 S)

Compound Name

4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(quinoxalin-2-yl)benzene-1-sulfonamide

IUPAC name

4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}-N-(quinoxalin-2-yl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1C(/C=C/Nc(cc1)ccc1S(Nc1nc2ccccc2nc1)(=O)=O)=O

InChI

InChI=1S/C24H20N4O4S/c1-32-19-10-6-17(7-11-19)23(29)14-15-25-18-8-12-20(13-9-18)33(30,31)28-24-16-26-21-4-2-3-5-22(21)27-24/h2-16,25H,1H3,(H,27,28)

InChI Key

JQCMBLWMZOVHJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02235393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.72

Polar Surface Area

90.686

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

3976-0073 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3976-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3976-0073?
Check Price and Availability of 3976-0073, 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 3976-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3976-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3976-0073
  • 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 3976-0073 available by request