D021-0128 Screening compound: 1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0128 Screening compound: 1-(4-methyl-3-nitrophenyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0128 Screening compound: 1-(4-methyl-3-nitrophenyl)-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 D021-0128
1-(4-methyl-3-nitrophenyl)-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

D021-0128

Molecular Formula

C19H11N5O4 (C19 H11 N5 O4)

Compound Name

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

IUPAC name

7-(4-methyl-3-nitrophenyl)-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

Cc(ccc(N(C(C(C#N)=C1)=O)C(N=C2N3C=CC=C2)=C1C3=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H11N5O4/c1-11-5-6-13(9-15(11)24(27)28)23-17-14(8-12(10-20)18(23)25)19(26)22-7-3-2-4-16(22)21-17/h2-9H,1H3

InChI Key

YOBFPFVJXTZGNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.897

Distribution Coefficient, logD

1.897

Water Solubility, LogSw

-2.33

Polar Surface Area

90.099

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D021-0128 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D021-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0128?
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What is the minimum amount of D021-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0128
  • 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 D021-0128 available by request