E981-1898 Screening compound: N-(2,5-diethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1898 Screening compound: N-(2,5-diethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1898 Screening compound: N-(2,5-diethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1898
N-(2,5-diethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

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

E981-1898

Molecular Formula

C26H28N4O3 (C26 H28 N4 O3)

Compound Name

N-(2,5-diethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-(25-diethoxyphenyl)-36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CCOc(cc1)cc(NC(c2c(c(C)nn3-c4ccc(C)cc4)c3nc(C)c2)=O)c1OCC

InChI

InChI=1S/C26H28N4O3/c1-6-32-20-12-13-23(33-7-2)22(15-20)28-26(31)21-14-17(4)27-25-24(21)18(5)29-30(25)19-10-8-16(3)9-11-19/h8-15H,6-7H2,1-5H3,(H,28,31)

InChI Key

DLAKTWUIKMJERB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.008

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-4.78

Polar Surface Area

60.168

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

E981-1898 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E981-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1898?
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What is the minimum amount of E981-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1898
  • 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 E981-1898 available by request