D724-0125 Screening compound: 4-methyl-1-(2-morpholinoethyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

D724-0125 Screening compound: 4-methyl-1-(2-morpholinoethyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide
D724-0125 Screening compound: 4-methyl-1-(2-morpholinoethyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0125
4-methyl-1-(2-morpholinoethyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

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

D724-0125

Molecular Formula

C21H23N5O (C21 H23 N5 O)

Compound Name

4-methyl-1-(2-morpholinoethyl)-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

IUPAC name

7-methyl-3-[2-(morpholin-4-yl)ethyl]-1310-triazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-2(6)79111315-hexaene-8-carbonitrile

SMILES

Cc(c(CCN1CCN2CCOCC2)c1n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C21H23N5O/c1-15-16-6-7-25(9-8-24-10-12-27-13-11-24)21(16)26-19-5-3-2-4-18(19)23-20(26)17(15)14-22/h2-5H,6-13H2,1H3

InChI Key

IVPXCZPECLZCAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.468

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.36

Polar Surface Area

43.126

Acid Dissociation Constant (pKa)

27.31

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D724-0125 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D724-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0125?
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What is the minimum amount of D724-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0125
  • 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 D724-0125 available by request