P114-1463 Screening compound: N-(3-chloro-2-methylphenyl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carboxamide

P114-1463 Screening compound: N-(3-chloro-2-methylphenyl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carboxamide
P114-1463 Screening compound: N-(3-chloro-2-methylphenyl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-1463
N-(3-chloro-2-methylphenyl)-4-{1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-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

P114-1463

Molecular Formula

C23H25ClN4O (C23 H25 ClN4 O)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-4-{1-propyl-1H-pyrrolo[23-b]pyridin-3-yl}-1236-tetrahydropyridine-1-carboxamide

SMILES

CCCn1c(nccc2)c2c(C(CC2)=CCN2C(Nc2cccc(Cl)c2C)=O)c1

InChI

InChI=1S/C23H25ClN4O/c1-3-12-28-15-19(18-6-5-11-25-22(18)28)17-9-13-27(14-10-17)23(29)26-21-8-4-7-20(24)16(21)2/h4-9,11,15H,3,10,12-14H2,1-2H3,(H,26,29)

InChI Key

SLCGBRFPIWELQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.171

Distribution Coefficient, logD

5.170

Water Solubility, LogSw

-5.42

Polar Surface Area

36.627

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

P114-1463 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with P114-1463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-1463?
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What is the minimum amount of P114-1463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-1463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-1463
  • 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 P114-1463 available by request