8005-7400 Screening compound: (E)-1-[4-(2,4-dinitrophenoxy)phenyl]-N-[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine

8005-7400 Screening compound: (E)-1-[4-(2,4-dinitrophenoxy)phenyl]-N-[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
8005-7400 Screening compound: (E)-1-[4-(2,4-dinitrophenoxy)phenyl]-N-[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7400
(E)-1-[4-(2,4-dinitrophenoxy)phenyl]-N-[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine

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

8005-7400

Molecular Formula

C27H18N4O6 (C27 H18 N4 O6)

Compound Name

(E)-1-[4-(2,4-dinitrophenoxy)phenyl]-N-[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine

IUPAC name

(E)-1-[4-(24-dinitrophenoxy)phenyl]-N-[3-(4-methyl-13-benzoxazol-2-yl)phenyl]methanimine

SMILES

Cc1cccc2c1nc(-c1cccc(/N=C/c(cc3)ccc3Oc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)c1)o2

InChI

InChI=1S/C27H18N4O6/c1-17-4-2-7-25-26(17)29-27(37-25)19-5-3-6-20(14-19)28-16-18-8-11-22(12-9-18)36-24-13-10-21(30(32)33)15-23(24)31(34)35/h2-16H,1H3

InChI Key

WWPHPFRLYDXRKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.216

Distribution Coefficient, logD

6.216

Water Solubility, LogSw

-5.82

Polar Surface Area

99.243

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

8005-7400 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 8005-7400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7400?
Check Price and Availability of 8005-7400, 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 8005-7400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7400
  • 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 8005-7400 available by request