J026-1403 Screening compound: 1-(4-methoxyphenyl)-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

J026-1403 Screening compound: 1-(4-methoxyphenyl)-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
J026-1403 Screening compound: 1-(4-methoxyphenyl)-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 J026-1403
1-(4-methoxyphenyl)-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

J026-1403

Molecular Formula

C23H18N4O4S (C23 H18 N4 O4 S)

Compound Name

1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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(cc4)ccc4OC)nccc2)=O)C3=O)nc(-c2cccs2)o1

InChI

InChI=1S/C23H18N4O4S/c1-14-18(25-21(31-14)19-6-4-12-32-19)13-26-22(28)17-5-3-11-24-20(17)27(23(26)29)15-7-9-16(30-2)10-8-15/h3-12H,13H2,1-2H3

InChI Key

MJHNDSLODADCLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.49

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

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.96

Polar Surface Area

67.670

Acid Dissociation Constant (pKa)

28.62

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

J026-1403 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with J026-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-1403?
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What is the minimum amount of J026-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-1403
  • 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 J026-1403 available by request