J026-0049 Screening compound: 3-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,7-dimethyl-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-0049 Screening compound: 3-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,7-dimethyl-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-0049 Screening compound: 3-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,7-dimethyl-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-0049
3-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,7-dimethyl-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

J026-0049

Molecular Formula

C26H21ClN4O3 (C26 H21 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(C(c2c(N3c4ccccc4)nc(C)cc2C)=O)C3=O)nc(-c2cccc(Cl)c2)o1

InChI

InChI=1S/C26H21ClN4O3/c1-15-12-16(2)28-23-22(15)25(32)30(26(33)31(23)20-10-5-4-6-11-20)14-21-17(3)34-24(29-21)18-8-7-9-19(27)13-18/h4-13H,14H2,1-3H3

InChI Key

GXQOGDXMXOTUCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.93

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

5.224

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.73

Polar Surface Area

58.483

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

J026-0049 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with J026-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-0049?
Check Price and Availability of J026-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J026-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-0049
  • 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 J026-0049 available by request