E981-1502 Screening compound: N-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1502 Screening compound: N-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1502 Screening compound: N-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1502
N-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethyl-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

E981-1502

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

N-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-1-(4-ethylphenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CCc(cc1)ccc1-n(c1nc(C)c2)nc(C)c1c2C(Nc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C25H26N4O3/c1-6-17-7-10-19(11-8-17)29-24-23(16(3)28-29)20(13-15(2)26-24)25(30)27-18-9-12-21(31-4)22(14-18)32-5/h7-14H,6H2,1-5H3,(H,27,30)

InChI Key

SEJAAFRBXIKLKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.357

Water Solubility, LogSw

-4.54

Polar Surface Area

61.793

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E981-1502 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E981-1502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1502?
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What is the minimum amount of E981-1502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1502
  • 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 E981-1502 available by request