D021-0125 Screening compound: 1-(2,4-dimethoxyphenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0125 Screening compound: 1-(2,4-dimethoxyphenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0125 Screening compound: 1-(2,4-dimethoxyphenyl)-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 D021-0125
1-(2,4-dimethoxyphenyl)-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

D021-0125

Molecular Formula

C20H14N4O4 (C20 H14 N4 O4)

Compound Name

1-(2,4-dimethoxyphenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

IUPAC name

7-(24-dimethoxyphenyl)-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

COc(cc1)cc(OC)c1N(C(C(C#N)=C1)=O)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C20H14N4O4/c1-27-13-6-7-15(16(10-13)28-2)24-18-14(9-12(11-21)19(24)25)20(26)23-8-4-3-5-17(23)22-18/h3-10H,1-2H3

InChI Key

JTRMFIFAVACRRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.36

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

1.566

Distribution Coefficient, logD

1.566

Water Solubility, LogSw

-2.00

Polar Surface Area

71.892

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with D021-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0125?
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What is the minimum amount of D021-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0125
  • 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 D021-0125 available by request