2072-0003 Screening compound: N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide

2072-0003 Screening compound: N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide
2072-0003 Screening compound: N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0003
N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide

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

2072-0003

Molecular Formula

C13H10N2O5 (C13 H10 N2 O5)

Compound Name

N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide

IUPAC name

N-(4-acetylphenyl)-5-nitrofuran-2-carboxamide

SMILES

CC(c(cc1)ccc1NC(c1ccc([N+]([O-])=O)o1)=O)=O

InChI

InChI=1S/C13H10N2O5/c1-8(16)9-2-4-10(5-3-9)14-13(17)11-6-7-12(20-11)15(18)19/h2-7H,1H3,(H,14,17)

InChI Key

KUPKLCBPCGTBMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.721

Water Solubility, LogSw

-2.29

Polar Surface Area

79.817

Acid Dissociation Constant (pKa)

8.26

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

2072-0003 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2072-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0003?
Check Price and Availability of 2072-0003, 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 2072-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0003
  • 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 2072-0003 available by request