E981-1223 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1223 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1223 Screening compound: N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1223
N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)-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

E981-1223

Molecular Formula

C23H20ClFN4O (C23 H20 ClFN4 O)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-1-(3-fluorophenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCCc(cc2)ccc2Cl)=O)nn1-c1cc(F)ccc1

InChI

InChI=1S/C23H20ClFN4O/c1-14-12-20(23(30)26-11-10-16-6-8-17(24)9-7-16)21-15(2)28-29(22(21)27-14)19-5-3-4-18(25)13-19/h3-9,12-13H,10-11H2,1-2H3,(H,26,30)

InChI Key

PBEYBPORMVDPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.69

Polar Surface Area

47.695

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E981-1223 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E981-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1223?
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What is the minimum amount of E981-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1223
  • 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 E981-1223 available by request