C301-0027 Screening compound: 4-(4-methoxyphenyl)-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)butanamide

C301-0027 Screening compound: 4-(4-methoxyphenyl)-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)butanamide
C301-0027 Screening compound: 4-(4-methoxyphenyl)-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0027
4-(4-methoxyphenyl)-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)butanamide

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

C301-0027

Molecular Formula

C20H21NO7 (C20 H21 NO7)

Compound Name

4-(4-methoxyphenyl)-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)butanamide

IUPAC name

4-(4-methoxyphenyl)-24-dioxo-N-(345-trimethoxyphenyl)butanamide

SMILES

COc(cc1)ccc1C(CC(C(Nc(cc1OC)cc(OC)c1OC)=O)=O)=O

InChI

InChI=1S/C20H21NO7/c1-25-14-7-5-12(6-8-14)15(22)11-16(23)20(24)21-13-9-17(26-2)19(28-4)18(10-13)27-3/h5-10H,11H2,1-4H3,(H,21,24)

InChI Key

WRAUSDHMKMPGOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.571

Distribution Coefficient, logD

1.534

Water Solubility, LogSw

-2.26

Polar Surface Area

80.345

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-0027 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C301-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0027?
Check Price and Availability of C301-0027, 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 C301-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0027
  • 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 C301-0027 available by request