E455-0413 Screening compound: 6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

E455-0413 Screening compound: 6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
E455-0413 Screening compound: 6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E455-0413
6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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

E455-0413

Molecular Formula

C21H16N4O6 (C21 H16 N4 O6)

Compound Name

6-(3,4-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

IUPAC name

6-(34-dimethoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[34-b]pyridine-4-carboxylic acid

SMILES

COc(ccc(-c1nc2n[nH]c(-c3cccc([N+]([O-])=O)c3)c2c(C(O)=O)c1)c1)c1OC

InChI

InChI=1S/C21H16N4O6/c1-30-16-7-6-11(9-17(16)31-2)15-10-14(21(26)27)18-19(23-24-20(18)22-15)12-4-3-5-13(8-12)25(28)29/h3-10H,1-2H3,(H,26,27)(H,22,23,24)

InChI Key

MWTIKZQLTLWFAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

-0.515

Water Solubility, LogSw

-4.51

Polar Surface Area

109.935

Acid Dissociation Constant (pKa)

3.20

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E455-0413 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E455-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E455-0413?
Check Price and Availability of E455-0413, 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 E455-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E455-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E455-0413
  • 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 E455-0413 available by request