D021-0222 Screening compound: 10-methyl-1-(3-methylphenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0222 Screening compound: 10-methyl-1-(3-methylphenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0222 Screening compound: 10-methyl-1-(3-methylphenyl)-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 D021-0222
10-methyl-1-(3-methylphenyl)-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

D021-0222

Molecular Formula

C20H14N4O2 (C20 H14 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(C(C#N)=C2)=O)C(N=C3N4C=CC=C3C)=C2C4=O)c1

InChI

InChI=1S/C20H14N4O2/c1-12-5-3-7-15(9-12)24-18-16(10-14(11-21)19(24)25)20(26)23-8-4-6-13(2)17(23)22-18/h3-10H,1-2H3

InChI Key

FLHOCDMFAGQAOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-2.46

Polar Surface Area

56.039

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with D021-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0222?
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What is the minimum amount of D021-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0222
  • 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 D021-0222 available by request