D021-0099 Screening compound: ethyl 4-[3-cyano-2,5-dioxo-2H-dipyrido[1,2-a:2,3-d]pyrimidin-1(5H)-yl]benzoate

D021-0099 Screening compound: ethyl 4-[3-cyano-2,5-dioxo-2H-dipyrido[1,2-a:2,3-d]pyrimidin-1(5H)-yl]benzoate
D021-0099 Screening compound: ethyl 4-[3-cyano-2,5-dioxo-2H-dipyrido[1,2-a:2,3-d]pyrimidin-1(5H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D021-0099
ethyl 4-[3-cyano-2,5-dioxo-2H-dipyrido[1,2-a:2,3-d]pyrimidin-1(5H)-yl]benzoate

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

D021-0099

Molecular Formula

C21H14N4O4 (C21 H14 N4 O4)

Compound Name

ethyl 4-[3-cyano-2,5-dioxo-2H-dipyrido[1,2-a:2,3-d]pyrimidin-1(5H)-yl]benzoate

IUPAC name

ethyl 4-{5-cyano-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaen-7-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C(C#N)=C1)=O)C(N=C2N3C=CC=C2)=C1C3=O)=O

InChI

InChI=1S/C21H14N4O4/c1-2-29-21(28)13-6-8-15(9-7-13)25-18-16(11-14(12-22)19(25)26)20(27)24-10-4-3-5-17(24)23-18/h3-11H,2H2,1H3

InChI Key

UYACXKVHKSEGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.45

Polar Surface Area

77.772

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D021-0099 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 D021-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0099?
Check Price and Availability of D021-0099, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D021-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0099
  • 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 D021-0099 available by request