8005-6828 Screening compound: 2-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol

8005-6828 Screening compound: 2-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol
8005-6828 Screening compound: 2-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6828
2-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol

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

8005-6828

Molecular Formula

C22H16N4O6 (C22 H16 N4 O6)

Compound Name

2-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4,6-dinitrophenol

IUPAC name

2-[(E)-{[2-(34-dimethylphenyl)-13-benzoxazol-5-yl]imino}methyl]-46-dinitrophenol

SMILES

Cc(cc1)c(C)cc1-c1nc(cc(cc2)/N=C/c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3O)c2o1

InChI

InChI=1S/C22H16N4O6/c1-12-3-4-14(7-13(12)2)22-24-18-9-16(5-6-20(18)32-22)23-11-15-8-17(25(28)29)10-19(21(15)27)26(30)31/h3-11,27H,1-2H3

InChI Key

UUYDDNSSVCHSOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

0.901

Water Solubility, LogSw

-5.41

Polar Surface Area

107.117

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8005-6828 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8005-6828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6828?
Check Price and Availability of 8005-6828, 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 8005-6828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6828
  • 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 8005-6828 available by request