J026-3532 Screening compound: 4-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzonitrile

J026-3532 Screening compound: 4-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzonitrile
J026-3532 Screening compound: 4-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3532
4-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzonitrile

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

J026-3532

Molecular Formula

C18H16N4O2 (C18 H16 N4 O2)

Compound Name

4-({1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}methyl)benzonitrile

IUPAC name

4-({157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}methyl)benzonitrile

SMILES

Cc1cc(C)nc(N(C)C(N2Cc(cc3)ccc3C#N)=O)c1C2=O

InChI

InChI=1S/C18H16N4O2/c1-11-8-12(2)20-16-15(11)17(23)22(18(24)21(16)3)10-14-6-4-13(9-19)5-7-14/h4-8H,10H2,1-3H3

InChI Key

VTXQPUVJYUZQHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-2.80

Polar Surface Area

58.066

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J026-3532 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J026-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3532?
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What is the minimum amount of J026-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3532
  • 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 J026-3532 available by request