8004-5270 Screening compound: 1-[(E)-({4'-nitro-[1,1'-biphenyl]-4-yl}imino)methyl]naphthalen-2-ol

8004-5270 Screening compound: 1-[(E)-({4'-nitro-[1,1'-biphenyl]-4-yl}imino)methyl]naphthalen-2-ol
8004-5270 Screening compound: 1-[(E)-({4'-nitro-[1,1'-biphenyl]-4-yl}imino)methyl]naphthalen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5270
1-[(E)-({4'-nitro-[1,1'-biphenyl]-4-yl}imino)methyl]naphthalen-2-ol

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

8004-5270

Molecular Formula

C23H16N2O3 (C23 H16 N2 O3)

Compound Name

1-[(E)-({4'-nitro-[1,1'-biphenyl]-4-yl}imino)methyl]naphthalen-2-ol

IUPAC name

1-[(E)-({4'-nitro-[11'-biphenyl]-4-yl}imino)methyl]naphthalen-2-ol

SMILES

[O-][N+](c(cc1)ccc1-c(cc1)ccc1/N=C/c(c1ccccc1cc1)c1O)=O

InChI

InChI=1S/C23H16N2O3/c26-23-14-9-18-3-1-2-4-21(18)22(23)15-24-19-10-5-16(6-11-19)17-7-12-20(13-8-17)25(27)28/h1-15,26H

InChI Key

NCUMXWVLFJUMEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00357654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

5.856

Water Solubility, LogSw

-6.82

Polar Surface Area

57.752

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-5270 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-5270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5270?
Check Price and Availability of 8004-5270, 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 8004-5270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5270
  • 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 8004-5270 available by request