D021-0198 Screening compound: 1-(2-morpholinoethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0198 Screening compound: 1-(2-morpholinoethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0198 Screening compound: 1-(2-morpholinoethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D021-0198
1-(2-morpholinoethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-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

D021-0198

Molecular Formula

C18H17N5O3 (C18 H17 N5 O3)

Compound Name

1-(2-morpholinoethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

IUPAC name

7-[2-(morpholin-4-yl)ethyl]-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

N#CC(C(N1CCN2CCOCC2)=O)=CC2=C1N=C(C=CC=C1)N1C2=O

InChI

InChI=1S/C18H17N5O3/c19-12-13-11-14-16(20-15-3-1-2-4-22(15)18(14)25)23(17(13)24)6-5-21-7-9-26-10-8-21/h1-4,11H,5-10H2

InChI Key

MXDRIMMNVDLWSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06592999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.141

Distribution Coefficient, logD

-0.148

Water Solubility, LogSw

-0.04

Polar Surface Area

69.500

Acid Dissociation Constant (pKa)

29.12

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D021-0198 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 D021-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0198?
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What is the minimum amount of D021-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0198
  • 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 D021-0198 available by request