C301-0079 Screening compound: N-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

C301-0079 Screening compound: N-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
C301-0079 Screening compound: N-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0079
N-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-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

C301-0079

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

N-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

IUPAC name

N-(26-dimethylphenyl)-4-(4-methoxyphenyl)-24-dioxobutanamide

SMILES

Cc1cccc(C)c1NC(C(CC(c(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C19H19NO4/c1-12-5-4-6-13(2)18(12)20-19(23)17(22)11-16(21)14-7-9-15(24-3)10-8-14/h4-10H,11H2,1-3H3,(H,20,23)

InChI Key

YIQKUHDIWHMGAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-2.53

Polar Surface Area

55.972

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C301-0079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
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 C301-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0079?
Check Price and Availability of C301-0079, 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 C301-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0079
  • 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 C301-0079 available by request