P114-0923 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-[4-(methylsulfanyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide

P114-0923 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-[4-(methylsulfanyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide
P114-0923 Screening compound: 4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-[4-(methylsulfanyl)phenyl]-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-0923
4-{1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-N-[4-(methylsulfanyl)phenyl]-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

P114-0923

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(nccc2)c2c(C(CC2)=CCN2C(Nc(cc2)ccc2SC)=O)c1

InChI

InChI=1S/C22H24N4OS/c1-3-25-15-20(19-5-4-12-23-21(19)25)16-10-13-26(14-11-16)22(27)24-17-6-8-18(28-2)9-7-17/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)

InChI Key

RXLQNVIXTAIRKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-3.88

Polar Surface Area

37.071

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P114-0923 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

DGK Inhibitors Library (10558 compounds)

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)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P114-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-0923?
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What is the minimum amount of P114-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-0923
  • 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 P114-0923 available by request