J026-3919 Screening compound: ethyl 1,7-dimethyl-2,4-dioxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3919 Screening compound: ethyl 1,7-dimethyl-2,4-dioxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3919 Screening compound: ethyl 1,7-dimethyl-2,4-dioxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3919
ethyl 1,7-dimethyl-2,4-dioxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

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

J026-3919

Molecular Formula

C20H18F3N3O4 (C20 H18 F3 N3 O4)

Compound Name

ethyl 1,7-dimethyl-2,4-dioxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 17-dimethyl-24-dioxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1cc(C)nc(N(C)C(N2Cc3cccc(C(F)(F)F)c3)=O)c1C2=O)=O

InChI

InChI=1S/C20H18F3N3O4/c1-4-30-18(28)14-8-11(2)24-16-15(14)17(27)26(19(29)25(16)3)10-12-6-5-7-13(9-12)20(21,22)23/h5-9H,4,10H2,1-3H3

InChI Key

KUESKSPAKKCABT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.38

Polar Surface Area

61.763

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J026-3919 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J026-3919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3919?
Check Price and Availability of J026-3919, 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 J026-3919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3919
  • 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 J026-3919 available by request