P114-0734 Screening compound: ethyl 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carbonyl)amino]benzoate

P114-0734 Screening compound: ethyl 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carbonyl)amino]benzoate
P114-0734 Screening compound: ethyl 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-0734
ethyl 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carbonyl)amino]benzoate

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

P114-0734

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

ethyl 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine-1-carbonyl)amino]benzoate

IUPAC name

ethyl 4-[(4-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-1236-tetrahydropyridine-1-carbonyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CC=C1c1cn(C)c2c1cccn2)=O)=O

InChI

InChI=1S/C23H24N4O3/c1-3-30-22(28)17-6-8-18(9-7-17)25-23(29)27-13-10-16(11-14-27)20-15-26(2)21-19(20)5-4-12-24-21/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,25,29)

InChI Key

REAANDBERLEALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-3.73

Polar Surface Area

58.656

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

P114-0734 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)

SH2 Library (10483 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
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with P114-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-0734?
Check Price and Availability of P114-0734, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P114-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-0734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-0734
  • 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 P114-0734 available by request