C301-0112 Screening compound: 4-(3-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-2,4-dioxobutanamide

C301-0112 Screening compound: 4-(3-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-2,4-dioxobutanamide
C301-0112 Screening compound: 4-(3-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-2,4-dioxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0112
4-(3-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-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

C301-0112

Molecular Formula

C18H16N2O6 (C18 H16 N2 O6)

Compound Name

4-(3-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-2,4-dioxobutanamide

IUPAC name

4-(3-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)-24-dioxobutanamide

SMILES

Cc(cc(cc1)[N+]([O-])=O)c1NC(C(CC(c1cc(OC)ccc1)=O)=O)=O

InChI

InChI=1S/C18H16N2O6/c1-11-8-13(20(24)25)6-7-15(11)19-18(23)17(22)10-16(21)12-4-3-5-14(9-12)26-2/h3-9H,10H2,1-2H3,(H,19,23)

InChI Key

SIHSHLRIKDQHIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-3.04

Polar Surface Area

90.051

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C301-0112 in Drug Discovery

Included in Screening Libraries

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:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C301-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0112?
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What is the minimum amount of C301-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0112
  • 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 C301-0112 available by request