D021-0275 Screening compound: 1-allyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0275 Screening compound: 1-allyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0275 Screening compound: 1-allyl-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 D021-0275
1-allyl-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

D021-0275

Molecular Formula

C15H10N4O2 (C15 H10 N4 O2)

Compound Name

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

IUPAC name

26-dioxo-7-(prop-2-en-1-yl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

C=CCN(C(C(C#N)=C1)=O)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C15H10N4O2/c1-2-6-19-13-11(8-10(9-16)14(19)20)15(21)18-7-4-3-5-12(18)17-13/h2-5,7-8H,1,6H2

InChI Key

ARCGSTOFFXSCJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.773

Distribution Coefficient, logD

0.773

Water Solubility, LogSw

-0.56

Polar Surface Area

57.880

Acid Dissociation Constant (pKa)

34.08

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D021-0275 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 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 D021-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0275?
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What is the minimum amount of D021-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0275
  • 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 D021-0275 available by request