5408-0380 Screening compound: 2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]-6-nitrophenol

5408-0380 Screening compound: 2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]-6-nitrophenol
5408-0380 Screening compound: 2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0380
2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]-6-nitrophenol

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

5408-0380

Molecular Formula

C18H12N4O4 (C18 H12 N4 O4)

Compound Name

2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]-6-nitrophenol

IUPAC name

2-[(E)-{[2-(furan-2-yl)imidazo[12-a]pyridin-3-yl]imino}methyl]-6-nitrophenol

SMILES

[O-][N+](c(cccc1/C=N/c2c(-c3ccco3)nc3n2cccc3)c1O)=O

InChI

InChI=1S/C18H12N4O4/c23-17-12(5-3-6-13(17)22(24)25)11-19-18-16(14-7-4-10-26-14)20-15-8-1-2-9-21(15)18/h1-11,23H

InChI Key

QIYBVLXIHFKBNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.506

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-3.53

Polar Surface Area

74.032

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5408-0380 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5408-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0380?
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What is the minimum amount of 5408-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0380
  • 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 5408-0380 available by request