0073-0059 Screening compound: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde

0073-0059 Screening compound: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde
0073-0059 Screening compound: 2-hydroxy-3-methoxy-5-nitrobenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0073-0059
2-hydroxy-3-methoxy-5-nitrobenzaldehyde

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

0073-0059

Molecular Formula

C8H7NO5 (C8 H7 NO5)

Compound Name

2-hydroxy-3-methoxy-5-nitrobenzaldehyde

IUPAC name

2-hydroxy-3-methoxy-5-nitrobenzaldehyde

SMILES

COc(cc(cc1C=O)[N+]([O-])=O)c1O

InChI

InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3

InChI Key

HGKHVFKBOHFYSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00017033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

197.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

-0.348

Water Solubility, LogSw

-1.45

Polar Surface Area

70.889

Acid Dissociation Constant (pKa)

5.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0073-0059 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0073-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0073-0059?
Check Price and Availability of 0073-0059, 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 0073-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0073-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0073-0059
  • 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 0073-0059 available by request