D021-0202 Screening compound: 1-(4-fluorobenzyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0202 Screening compound: 1-(4-fluorobenzyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0202 Screening compound: 1-(4-fluorobenzyl)-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 D021-0202
1-(4-fluorobenzyl)-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

D021-0202

Molecular Formula

C19H11FN4O2 (C19 H11 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(N1Cc(cc2)ccc2F)=O)=CC2=C1N=C(C=CC=C1)N1C2=O

InChI

InChI=1S/C19H11FN4O2/c20-14-6-4-12(5-7-14)11-24-17-15(9-13(10-21)18(24)25)19(26)23-8-2-1-3-16(23)22-17/h1-9H,11H2

InChI Key

PVVMARQVVLPOJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06596447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.32

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

1.919

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-2.30

Polar Surface Area

57.630

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D021-0202 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D021-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0202?
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What is the minimum amount of D021-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0202
  • 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 D021-0202 available by request