J026-3418 Screening compound: 3-[(4-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-3418 Screening compound: 3-[(4-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-3418 Screening compound: 3-[(4-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3418
3-[(4-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

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

J026-3418

Molecular Formula

C27H25N5O3 (C27 H25 N5 O3)

Compound Name

3-[(4-cyanophenyl)methyl]-N,N-diethyl-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

3-[(4-cyanophenyl)methyl]-NN-diethyl-7-methyl-24-dioxo-1-phenyl-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c(cc(C)nc1N(c2ccccc2)C(N2Cc(cc3)ccc3C#N)=O)c1C2=O)=O

InChI

InChI=1S/C27H25N5O3/c1-4-30(5-2)25(33)22-15-18(3)29-24-23(22)26(34)31(17-20-13-11-19(16-28)12-14-20)27(35)32(24)21-9-7-6-8-10-21/h6-15H,4-5,17H2,1-3H3

InChI Key

PMWMHCGHGLKDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

3.505

Water Solubility, LogSw

-3.80

Polar Surface Area

73.349

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J026-3418 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Proteases
  • Nuclear receptors
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with J026-3418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3418?
Check Price and Availability of J026-3418, 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 J026-3418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3418
  • 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 J026-3418 available by request