E981-1864 Screening compound: N-(2-ethyl-6-methylphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1864 Screening compound: N-(2-ethyl-6-methylphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1864 Screening compound: N-(2-ethyl-6-methylphenyl)-3,6-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1864
N-(2-ethyl-6-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

E981-1864

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

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

IUPAC name

N-(2-ethyl-6-methylphenyl)-36-dimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

CCc(cccc1C)c1NC(c1c(c(C)nn2-c3ccc(C)cc3)c2nc(C)c1)=O

InChI

InChI=1S/C25H26N4O/c1-6-19-9-7-8-16(3)23(19)27-25(30)21-14-17(4)26-24-22(21)18(5)28-29(24)20-12-10-15(2)11-13-20/h7-14H,6H2,1-5H3,(H,27,30)

InChI Key

ZCSAKFKWAHDHAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

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

4.848

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-4.72

Polar Surface Area

45.136

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E981-1864 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E981-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1864?
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What is the minimum amount of E981-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1864
  • 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 E981-1864 available by request