2081-1699 Screening compound: N-(3,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide

2081-1699 Screening compound: N-(3,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide
2081-1699 Screening compound: N-(3,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1699
N-(3,4-dimethoxyphenyl)-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

2081-1699

Molecular Formula

C13H12N2O6 (C13 H12 N2 O6)

Compound Name

N-(3,4-dimethoxyphenyl)-5-nitrofuran-2-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-5-nitrofuran-2-carboxamide

SMILES

COc(ccc(NC(c1ccc([N+]([O-])=O)o1)=O)c1)c1OC

InChI

InChI=1S/C13H12N2O6/c1-19-9-4-3-8(7-11(9)20-2)14-13(16)10-5-6-12(21-10)15(17)18/h3-7H,1-2H3,(H,14,16)

InChI Key

LSLUOOOUJGEACS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01146316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.770

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-2.38

Polar Surface Area

81.251

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2081-1699 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 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 2081-1699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1699?
Check Price and Availability of 2081-1699, 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 2081-1699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1699
  • 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 2081-1699 available by request