D724-0207 Screening compound: 5-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0207 Screening compound: 5-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0207 Screening compound: 5-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D724-0207
5-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-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

D724-0207

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

5-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propyl}-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

8-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-11-methyl-13-oxo-18-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-10-carbonitrile

SMILES

CC(C(C#N)=C1N2c(cccc3)c3N1CC(CN1CCN(CCO)CC1)O)=CC2=O

InChI

InChI=1S/C22H27N5O3/c1-16-12-21(30)27-20-5-3-2-4-19(20)26(22(27)18(16)13-23)15-17(29)14-25-8-6-24(7-9-25)10-11-28/h2-5,12,17,28-29H,6-11,14-15H2,1H3/t17-/m1/s1

InChI Key

FDVXQGRVLSTUHT-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05692510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.222

Distribution Coefficient, logD

-0.193

Water Solubility, LogSw

-1.30

Polar Surface Area

75.728

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D724-0207 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D724-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0207?
Check Price and Availability of D724-0207, 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 D724-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0207
  • 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 D724-0207 available by request