J026-3288 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

J026-3288 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
J026-3288 Screening compound: 3-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3288
3-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-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

J026-3288

Molecular Formula

C29H30N4O4 (C29 H30 N4 O4)

Compound Name

3-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

IUPAC name

3-[(25-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-7-methyl-5-(pyrrolidine-1-carbonyl)-1H2H3H4H-pyrido[23-d]pyrimidine-24-dione

SMILES

Cc1cc(CN(C(c(c(N2c(cccc3)c3OC)nc(C)c3)c3C(N3CCCC3)=O)=O)C2=O)c(C)cc1

InChI

InChI=1S/C29H30N4O4/c1-18-11-12-19(2)21(15-18)17-32-28(35)25-22(27(34)31-13-7-8-14-31)16-20(3)30-26(25)33(29(32)36)23-9-5-6-10-24(23)37-4/h5-6,9-12,15-16H,7-8,13-14,17H2,1-4H3

InChI Key

WTYKTNRXHYLXAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09780371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.939

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.74

Polar Surface Area

64.704

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

J026-3288 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-3288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3288?
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What is the minimum amount of J026-3288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3288
  • 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 J026-3288 available by request