E981-0897 Screening compound: 3,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-0897 Screening compound: 3,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-0897 Screening compound: 3,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-0897
3,6-dimethyl-N-[(5-methylfuran-2-yl)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

E981-0897

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

3,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

36-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc1ccc(CNC(c2c(c(C)nn3-c4ccccc4)c3nc(C)c2)=O)o1

InChI

InChI=1S/C21H20N4O2/c1-13-11-18(21(26)22-12-17-10-9-14(2)27-17)19-15(3)24-25(20(19)23-13)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,22,26)

InChI Key

IQEDWSQJEQXWAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-4.11

Polar Surface Area

55.117

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E981-0897 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

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

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

References: we are preparing a list of scientific research reports with E981-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-0897?
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What is the minimum amount of E981-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-0897
  • 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 E981-0897 available by request