8003-6826 Screening compound: 4-chloro-2-nitro-6-[(E)-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)imino]methyl]phenol

8003-6826 Screening compound: 4-chloro-2-nitro-6-[(E)-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)imino]methyl]phenol
8003-6826 Screening compound: 4-chloro-2-nitro-6-[(E)-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6826
4-chloro-2-nitro-6-[(E)-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)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

8003-6826

Molecular Formula

C19H11ClN4O4 (C19 H11 ClN4 O4)

Compound Name

4-chloro-2-nitro-6-[(E)-[(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)imino]methyl]phenol

IUPAC name

4-chloro-2-nitro-6-[(E)-[(4-{[13]oxazolo[45-b]pyridin-2-yl}phenyl)imino]methyl]phenol

SMILES

[O-][N+](c(cc(cc1/C=N/c(cc2)ccc2-c2nc(nccc3)c3o2)Cl)c1O)=O

InChI

InChI=1S/C19H11ClN4O4/c20-13-8-12(17(25)15(9-13)24(26)27)10-22-14-5-3-11(4-6-14)19-23-18-16(28-19)2-1-7-21-18/h1-10,25H

InChI Key

MBGMEVJAEVGAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00296133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.77

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-4.57

Polar Surface Area

84.110

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-6826 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 8003-6826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6826?
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What is the minimum amount of 8003-6826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6826
  • 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 8003-6826 available by request