5408-0068 Screening compound: 4-bromo-2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol

5408-0068 Screening compound: 4-bromo-2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol
5408-0068 Screening compound: 4-bromo-2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-0068
4-bromo-2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol

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

5408-0068

Molecular Formula

C18H12BrN3O2 (C18 H12 BrN3 O2)

Compound Name

4-bromo-2-[(E)-{[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]imino}methyl]phenol

IUPAC name

4-bromo-2-[(E)-{[2-(furan-2-yl)imidazo[12-a]pyridin-3-yl]imino}methyl]phenol

SMILES

Oc(cc1)c(/C=N/c2c(-c3ccco3)nc3n2cccc3)cc1Br

InChI

InChI=1S/C18H12BrN3O2/c19-13-6-7-14(23)12(10-13)11-20-18-17(15-4-3-9-24-15)21-16-5-1-2-8-22(16)18/h1-11,23H

InChI Key

BWZDWPREJIFTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00815618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.223

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.14

Polar Surface Area

42.020

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5408-0068 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 5408-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-0068?
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What is the minimum amount of 5408-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-0068
  • 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 5408-0068 available by request