5782-2031 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 4-[(4-acetylphenyl)carbamoyl]butanoate

5782-2031 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 4-[(4-acetylphenyl)carbamoyl]butanoate
5782-2031 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 4-[(4-acetylphenyl)carbamoyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-2031
2-(4-methoxyphenyl)-2-oxoethyl 4-[(4-acetylphenyl)carbamoyl]butanoate

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

5782-2031

Molecular Formula

C22H23NO6 (C22 H23 NO6)

Compound Name

2-(4-methoxyphenyl)-2-oxoethyl 4-[(4-acetylphenyl)carbamoyl]butanoate

IUPAC name

2-(4-methoxyphenyl)-2-oxoethyl 4-[(4-acetylphenyl)carbamoyl]butanoate

SMILES

CC(c(cc1)ccc1NC(CCCC(OCC(c(cc1)ccc1OC)=O)=O)=O)=O

InChI

InChI=1S/C22H23NO6/c1-15(24)16-6-10-18(11-7-16)23-21(26)4-3-5-22(27)29-14-20(25)17-8-12-19(28-2)13-9-17/h6-13H,3-5,14H2,1-2H3,(H,23,26)

InChI Key

WMNMMRIJQAFZPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01616248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.123

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.79

Polar Surface Area

78.268

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

5782-2031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5782-2031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-2031?
Check Price and Availability of 5782-2031, 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 5782-2031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-2031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-2031
  • 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 5782-2031 available by request