J026-2137 Screening compound: methyl 1-[(furan-2-yl)methyl]-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-2137 Screening compound: methyl 1-[(furan-2-yl)methyl]-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-2137 Screening compound: methyl 1-[(furan-2-yl)methyl]-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-2137
methyl 1-[(furan-2-yl)methyl]-7-methyl-3-[(4-methylphenyl)methyl]-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

J026-2137

Molecular Formula

C23H21N3O5 (C23 H21 N3 O5)

Compound Name

methyl 1-[(furan-2-yl)methyl]-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 1-[(furan-2-yl)methyl]-7-methyl-3-[(4-methylphenyl)methyl]-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc1ccc(CN(C(c2c(N3Cc4ccco4)nc(C)cc2C(OC)=O)=O)C3=O)cc1

InChI

InChI=1S/C23H21N3O5/c1-14-6-8-16(9-7-14)12-26-21(27)19-18(22(28)30-3)11-15(2)24-20(19)25(23(26)29)13-17-5-4-10-31-17/h4-11H,12-13H2,1-3H3

InChI Key

NABLSONQFMAIGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.44

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

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.45

Polar Surface Area

69.895

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J026-2137 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 J026-2137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-2137?
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What is the minimum amount of J026-2137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-2137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-2137
  • 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 J026-2137 available by request