J026-3918 Screening compound: ethyl 3-[(3-cyanophenyl)methyl]-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3918 Screening compound: ethyl 3-[(3-cyanophenyl)methyl]-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3918 Screening compound: ethyl 3-[(3-cyanophenyl)methyl]-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3918
ethyl 3-[(3-cyanophenyl)methyl]-1,7-dimethyl-2,4-dioxo-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

J026-3918

Molecular Formula

C20H18N4O4 (C20 H18 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cc(C)nc(N(C)C(N2Cc3cc(C#N)ccc3)=O)c1C2=O)=O

InChI

InChI=1S/C20H18N4O4/c1-4-28-19(26)15-8-12(2)22-17-16(15)18(25)24(20(27)23(17)3)11-14-7-5-6-13(9-14)10-21/h5-9H,4,11H2,1-3H3

InChI Key

GTPDVBZMLHGGIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.15

Polar Surface Area

78.819

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J026-3918 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-3918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3918?
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What is the minimum amount of J026-3918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3918
  • 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 J026-3918 available by request