E981-0642 Screening compound: N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-0642 Screening compound: N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-0642 Screening compound: N-[(4-chlorophenyl)methyl]-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-0642
N-[(4-chlorophenyl)methyl]-3,6-dimethyl-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

E981-0642

Molecular Formula

C22H19ClN4O (C22 H19 ClN4 O)

Compound Name

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

IUPAC name

N-[(4-chlorophenyl)methyl]-36-dimethyl-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCc(cc2)ccc2Cl)=O)nn1-c1ccccc1

InChI

InChI=1S/C22H19ClN4O/c1-14-12-19(22(28)24-13-16-8-10-17(23)11-9-16)20-15(2)26-27(21(20)25-14)18-6-4-3-5-7-18/h3-12H,13H2,1-2H3,(H,24,28)

InChI Key

WKCRQSUDUAISJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.61

Polar Surface Area

47.854

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E981-0642 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-0642?
Check Price and Availability of E981-0642, 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 E981-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-0642
  • 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 E981-0642 available by request