P114-1578 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxamide

P114-1578 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxamide
P114-1578 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-1578
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxamide

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

P114-1578

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-isopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-[1-(propan-2-yl)-1H-pyrrolo[23-b]pyridin-3-yl]-1236-tetrahydropyridine-1-carboxamide

SMILES

CC(C)n1c(nccc2)c2c(C(CC2)=CCN2C(Nc(cc2)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C24H26N4O3/c1-16(2)28-15-20(19-4-3-9-25-23(19)28)17-7-10-27(11-8-17)24(29)26-18-5-6-21-22(14-18)31-13-12-30-21/h3-7,9,14-16H,8,10-13H2,1-2H3,(H,26,29)

InChI Key

GDMWGOPAYVJLRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.18

Polar Surface Area

53.961

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

P114-1578 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P114-1578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-1578?
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What is the minimum amount of P114-1578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-1578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-1578
  • 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 P114-1578 available by request