E981-1895 Screening compound: N-(4-fluoro-2-methylphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1895 Screening compound: N-(4-fluoro-2-methylphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1895 Screening compound: N-(4-fluoro-2-methylphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1895
N-(4-fluoro-2-methylphenyl)-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

E981-1895

Molecular Formula

C23H21FN4O (C23 H21 FN4 O)

Compound Name

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

IUPAC name

N-(4-fluoro-2-methylphenyl)-36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(Nc(cc2)c(C)cc2F)=O)nn1-c1ccc(C)cc1

InChI

InChI=1S/C23H21FN4O/c1-13-5-8-18(9-6-13)28-22-21(16(4)27-28)19(12-15(3)25-22)23(29)26-20-10-7-17(24)11-14(20)2/h5-12H,1-4H3,(H,26,29)

InChI Key

OJZLNIVWGFZGRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.47

Polar Surface Area

45.834

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E981-1895 in Drug Discovery

Included in Screening Libraries

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 E981-1895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1895?
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What is the minimum amount of E981-1895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1895
  • 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 E981-1895 available by request