P114-0715 Screening compound: N-(3,4-dimethoxyphenyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carboxamide

P114-0715 Screening compound: N-(3,4-dimethoxyphenyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carboxamide
P114-0715 Screening compound: N-(3,4-dimethoxyphenyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-0715
N-(3,4-dimethoxyphenyl)-4-{1-methyl-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

P114-0715

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-4-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-1236-tetrahydropyridine-1-carboxamide

SMILES

Cn1c(nccc2)c2c(C(CC2)=CCN2C(Nc(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C22H24N4O3/c1-25-14-18(17-5-4-10-23-21(17)25)15-8-11-26(12-9-15)22(27)24-16-6-7-19(28-2)20(13-16)29-3/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,24,27)

InChI Key

AADMMOFIWUUOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

2.694

Water Solubility, LogSw

-3.01

Polar Surface Area

53.163

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P114-0715 in Drug Discovery

Included in Screening Libraries

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

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 P114-0715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-0715?
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What is the minimum amount of P114-0715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-0715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-0715
  • 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 P114-0715 available by request