J026-0797 Screening compound: 1-(2-methoxyphenyl)-5,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-0797 Screening compound: 1-(2-methoxyphenyl)-5,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-0797 Screening compound: 1-(2-methoxyphenyl)-5,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-0797
1-(2-methoxyphenyl)-5,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-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

J026-0797

Molecular Formula

C25H22N4O4S (C25 H22 N4 O4 S)

Compound Name

1-(2-methoxyphenyl)-5,7-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

1-(2-methoxyphenyl)-57-dimethyl-3-{[5-methyl-2-(thiophen-2-yl)-13-oxazol-4-yl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1c(CN(C(c2c(N3c(cccc4)c4OC)nc(C)cc2C)=O)C3=O)nc(-c2cccs2)o1

InChI

InChI=1S/C25H22N4O4S/c1-14-12-15(2)26-22-21(14)24(30)28(25(31)29(22)18-8-5-6-9-19(18)32-4)13-17-16(3)33-23(27-17)20-10-7-11-34-20/h5-12H,13H2,1-4H3

InChI Key

YVJJTYSCVYAGML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.455

Water Solubility, LogSw

-4.49

Polar Surface Area

66.830

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J026-0797 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with J026-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J026-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-0797
  • 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 J026-0797 available by request