E455-0400 Screening compound: 3-(3-nitrophenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

E455-0400 Screening compound: 3-(3-nitrophenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
E455-0400 Screening compound: 3-(3-nitrophenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound E455-0400
3-(3-nitrophenyl)-6-(2,4,5-trimethoxyphenyl)-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

E455-0400

Molecular Formula

C22H18N4O7 (C22 H18 N4 O7)

Compound Name

3-(3-nitrophenyl)-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

IUPAC name

3-(3-nitrophenyl)-6-(245-trimethoxyphenyl)-2H-pyrazolo[34-b]pyridine-4-carboxylic acid

SMILES

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

InChI

InChI=1S/C22H18N4O7/c1-31-16-10-18(33-3)17(32-2)9-13(16)15-8-14(22(27)28)19-20(24-25-21(19)23-15)11-5-4-6-12(7-11)26(29)30/h4-10H,1-3H3,(H,27,28)(H,23,24,25)

InChI Key

IQMJQNLEHKIRHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14853180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

-0.397

Water Solubility, LogSw

-4.52

Polar Surface Area

117.565

Acid Dissociation Constant (pKa)

3.20

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E455-0400 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 E455-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E455-0400?
Check Price and Availability of E455-0400, 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 E455-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E455-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E455-0400
  • 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 E455-0400 available by request