J026-3421 Screening compound: N,N-diethyl-3-[(3-methoxyphenyl)methyl]-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-3421 Screening compound: N,N-diethyl-3-[(3-methoxyphenyl)methyl]-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-3421 Screening compound: N,N-diethyl-3-[(3-methoxyphenyl)methyl]-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 J026-3421
N,N-diethyl-3-[(3-methoxyphenyl)methyl]-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

J026-3421

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(c(cc(C)nc1N(c2ccccc2)C(N2Cc3cc(OC)ccc3)=O)c1C2=O)=O

InChI

InChI=1S/C27H28N4O4/c1-5-29(6-2)25(32)22-15-18(3)28-24-23(22)26(33)30(17-19-11-10-14-21(16-19)35-4)27(34)31(24)20-12-8-7-9-13-20/h7-16H,5-6,17H2,1-4H3

InChI Key

APJCWSGTNMQRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

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

3.906

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.21

Polar Surface Area

63.836

Acid Dissociation Constant (pKa)

27.00

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

J026-3421 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J026-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3421?
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What is the minimum amount of J026-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3421
  • 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 J026-3421 available by request