J026-0219 Screening compound: 3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-0219 Screening compound: 3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-0219 Screening compound: 3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-0219
3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

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

J026-0219

Molecular Formula

C22H16N4O3S (C22 H16 N4 O3 S)

Compound Name

3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-{[5-methyl-2-(thiophen-2-yl)-13-oxazol-4-yl]methyl}-1-phenyl-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1c(CN(C(c2c(N3c4ccccc4)nccc2)=O)C3=O)nc(-c2cccs2)o1

InChI

InChI=1S/C22H16N4O3S/c1-14-17(24-20(29-14)18-10-6-12-30-18)13-25-21(27)16-9-5-11-23-19(16)26(22(25)28)15-7-3-2-4-8-15/h2-12H,13H2,1H3

InChI Key

ZKPRLQGZNONPLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.71

Polar Surface Area

60.127

Acid Dissociation Constant (pKa)

28.62

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

J026-0219 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-0219?
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What is the minimum amount of J026-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-0219
  • 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 J026-0219 available by request