C301-0128 Screening compound: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

C301-0128 Screening compound: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
C301-0128 Screening compound: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0128
N-(2,3-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

C301-0128

Molecular Formula

C19H19NO4 (C19 H19 NO4)

Compound Name

N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide

IUPAC name

N-(23-dimethylphenyl)-4-(4-methoxyphenyl)-24-dioxobutanamide

SMILES

Cc1cccc(NC(C(CC(c(cc2)ccc2OC)=O)=O)=O)c1C

InChI

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

InChI Key

KYXZOCWDCCXJFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741662

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

3.019

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.32

Polar Surface Area

56.669

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

C301-0128 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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 C301-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0128?
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What is the minimum amount of C301-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0128
  • 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 C301-0128 available by request