C439-0521 Screening compound: 4-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-2,4-dioxobutanamide

C439-0521 Screening compound: 4-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-2,4-dioxobutanamide
C439-0521 Screening compound: 4-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-2,4-dioxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C439-0521
4-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-2,4-dioxobutanamide

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

C439-0521

Molecular Formula

C19H19NO5 (C19 H19 NO5)

Compound Name

4-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-2,4-dioxobutanamide

IUPAC name

4-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-24-dioxobutanamide

SMILES

COc(cc1)ccc1C(CC(C(NCc1cc(OC)ccc1)=O)=O)=O

InChI

InChI=1S/C19H19NO5/c1-24-15-8-6-14(7-9-15)17(21)11-18(22)19(23)20-12-13-4-3-5-16(10-13)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)

InChI Key

HJPCAJGLTLWZOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.39

Polar Surface Area

66.233

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C439-0521 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C439-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C439-0521?
Check Price and Availability of C439-0521, 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 C439-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C439-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C439-0521
  • 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 C439-0521 available by request