E981-1291 Screening compound: N-(1-benzylpiperidin-4-yl)-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1291 Screening compound: N-(1-benzylpiperidin-4-yl)-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1291 Screening compound: N-(1-benzylpiperidin-4-yl)-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1291
N-(1-benzylpiperidin-4-yl)-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

E981-1291

Molecular Formula

C27H28FN5O (C27 H28 FN5 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-1-(3-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-1-(3-fluorophenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NC2CCN(Cc3ccccc3)CC2)=O)nn1-c1cccc(F)c1

InChI

InChI=1S/C27H28FN5O/c1-18-15-24(25-19(2)31-33(26(25)29-18)23-10-6-9-21(28)16-23)27(34)30-22-11-13-32(14-12-22)17-20-7-4-3-5-8-20/h3-10,15-16,22H,11-14,17H2,1-2H3,(H,30,34)

InChI Key

ANHOUIALXQFINY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-4.37

Polar Surface Area

51.120

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

E981-1291 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E981-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1291?
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What is the minimum amount of E981-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1291
  • 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 E981-1291 available by request