P114-0841 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-(4-methylphenyl)-1,2,3,6-tetrahydropyridine-1-carboxamide

P114-0841 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-(4-methylphenyl)-1,2,3,6-tetrahydropyridine-1-carboxamide
P114-0841 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-(4-methylphenyl)-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-0841
4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-(4-methylphenyl)-1,2,3,6-tetrahydropyridine-1-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

P114-0841

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-(4-methylphenyl)-1,2,3,6-tetrahydropyridine-1-carboxamide

IUPAC name

4-{1-ethyl-1H-pyrrolo[23-b]pyridin-3-yl}-N-(4-methylphenyl)-1236-tetrahydropyridine-1-carboxamide

SMILES

CCn1c(nccc2)c2c(C(CC2)=CCN2C(Nc2ccc(C)cc2)=O)c1

InChI

InChI=1S/C22H24N4O/c1-3-25-15-20(19-5-4-12-23-21(19)25)17-10-13-26(14-11-17)22(27)24-18-8-6-16(2)7-9-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)

InChI Key

JRRJPQUZOHSSCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.878

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-3.71

Polar Surface Area

37.071

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P114-0841 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P114-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-0841?
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What is the minimum amount of P114-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-0841
  • 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 P114-0841 available by request