7828-0057 Screening compound: N-{4-methoxy-3-[2-(2-nitrophenoxy)acetamido]phenyl}furan-2-carboxamide

7828-0057 Screening compound: N-{4-methoxy-3-[2-(2-nitrophenoxy)acetamido]phenyl}furan-2-carboxamide
7828-0057 Screening compound: N-{4-methoxy-3-[2-(2-nitrophenoxy)acetamido]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0057
N-{4-methoxy-3-[2-(2-nitrophenoxy)acetamido]phenyl}furan-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

7828-0057

Molecular Formula

C20H17N3O7 (C20 H17 N3 O7)

Compound Name

N-{4-methoxy-3-[2-(2-nitrophenoxy)acetamido]phenyl}furan-2-carboxamide

IUPAC name

N-{4-methoxy-3-[2-(2-nitrophenoxy)acetamido]phenyl}furan-2-carboxamide

SMILES

COc(ccc(NC(c1ccco1)=O)c1)c1NC(COc(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C20H17N3O7/c1-28-16-9-8-13(21-20(25)18-7-4-10-29-18)11-14(16)22-19(24)12-30-17-6-3-2-5-15(17)23(26)27/h2-11H,12H2,1H3,(H,21,25)(H,22,24)

InChI Key

VOHCIYHLKOBESX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04388281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

2.621

Water Solubility, LogSw

-3.16

Polar Surface Area

102.385

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7828-0057 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7828-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0057?
Check Price and Availability of 7828-0057, 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 7828-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0057
  • 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 7828-0057 available by request