D724-0117 Screening compound: 1-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide

D724-0117 Screening compound: 1-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a][1,3]benzimidazol-5-yl cyanide
D724-0117 Screening compound: 1-[2-(dimethylamino)ethyl]-4-methyl-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 D724-0117
1-[2-(dimethylamino)ethyl]-4-methyl-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

D724-0117

Molecular Formula

C19H21N5 (C19 H21 N5)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(CCN1CCN(C)C)c1n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C19H21N5/c1-13-14-8-9-23(11-10-22(2)3)19(14)24-17-7-5-4-6-16(17)21-18(24)15(13)12-20/h4-7H,8-11H2,1-3H3

InChI Key

DJFHXCQDOPXQJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

0.232

Water Solubility, LogSw

-2.77

Polar Surface Area

35.372

Acid Dissociation Constant (pKa)

27.31

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

D724-0117 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D724-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0117?
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What is the minimum amount of D724-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0117
  • 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 D724-0117 available by request