D724-0069 Screening compound: 11-[(2-pyridylmethyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

D724-0069 Screening compound: 11-[(2-pyridylmethyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide
D724-0069 Screening compound: 11-[(2-pyridylmethyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0069
11-[(2-pyridylmethyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-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

D724-0069

Molecular Formula

C22H19N5 (C22 H19 N5)

Compound Name

11-[(2-pyridylmethyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

IUPAC name

9-{[(pyridin-2-yl)methyl]amino}-1017-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)2811(16)1214-hexaene-2-carbonitrile

SMILES

N#Cc1c(CCCC2)c2c(NCc2ncccc2)n2c1nc1c2cccc1

InChI

InChI=1S/C22H19N5/c23-13-18-16-8-1-2-9-17(16)21(25-14-15-7-5-6-12-24-15)27-20-11-4-3-10-19(20)26-22(18)27/h3-7,10-12,25H,1-2,8-9,14H2

InChI Key

MWJFXWRUCLDVCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05678187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-4.02

Polar Surface Area

46.455

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D724-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D724-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0069?
Check Price and Availability of D724-0069, 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 D724-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0069
  • 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 D724-0069 available by request