D724-0198 Screening compound: 5-[3-(2-ethylpiperidino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

D724-0198 Screening compound: 5-[3-(2-ethylpiperidino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
D724-0198 Screening compound: 5-[3-(2-ethylpiperidino)-2-hydroxypropyl]-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 D724-0198
5-[3-(2-ethylpiperidino)-2-hydroxypropyl]-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

D724-0198

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

5-[3-(2-ethylpiperidino)-2-hydroxypropyl]-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

8-[3-(2-ethylpiperidin-1-yl)-2-hydroxypropyl]-11-methyl-13-oxo-18-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaene-10-carbonitrile

SMILES

CCC1N(CC(CN(c(cccc2)c2N2C(C=C3C)=O)C2=C3C#N)O)CCCC1

InChI

InChI=1S/C23H28N4O2/c1-3-17-8-6-7-11-25(17)14-18(28)15-26-20-9-4-5-10-21(20)27-22(29)12-16(2)19(13-24)23(26)27/h4-5,9-10,12,17-18,28H,3,6-8,11,14-15H2,1-2H3

InChI Key

AIYONIJQDRWVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05688521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-2.47

Polar Surface Area

55.094

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.80

D724-0198 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D724-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D724-0198?
Check Price and Availability of D724-0198, 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 D724-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D724-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D724-0198
  • 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 D724-0198 available by request