E540-0681 Screening compound: 6-cyclopropyl-N-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E540-0681 Screening compound: 6-cyclopropyl-N-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E540-0681 Screening compound: 6-cyclopropyl-N-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E540-0681
6-cyclopropyl-N-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-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

E540-0681

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

6-cyclopropyl-N-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

6-cyclopropyl-N-(34-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C2CC2)c2)c2C(Nc(cc2)cc(OC)c2OC)=O)nn1-c1ccccc1

InChI

InChI=1S/C25H24N4O3/c1-15-23-19(25(30)26-17-11-12-21(31-2)22(13-17)32-3)14-20(16-9-10-16)27-24(23)29(28-15)18-7-5-4-6-8-18/h4-8,11-14,16H,9-10H2,1-3H3,(H,26,30)

InChI Key

OWRPFLPZPNXZCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

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

4.311

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.60

Polar Surface Area

62.238

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E540-0681 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 E540-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E540-0681?
Check Price and Availability of E540-0681, 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 E540-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E540-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E540-0681
  • 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 E540-0681 available by request