J026-3417 Screening compound: N,N-diethyl-3-[(4-fluorophenyl)methyl]-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-3417 Screening compound: N,N-diethyl-3-[(4-fluorophenyl)methyl]-7-methyl-2,4-dioxo-1-phenyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-3417 Screening compound: N,N-diethyl-3-[(4-fluorophenyl)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 J026-3417
N,N-diethyl-3-[(4-fluorophenyl)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

J026-3417

Molecular Formula

C26H25FN4O3 (C26 H25 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(c1cc(C)nc(N(c2ccccc2)C(N2Cc(cc3)ccc3F)=O)c1C2=O)=O

InChI

InChI=1S/C26H25FN4O3/c1-4-29(5-2)24(32)21-15-17(3)28-23-22(21)25(33)30(16-18-11-13-19(27)14-12-18)26(34)31(23)20-9-7-6-8-10-20/h6-15H,4-5,16H2,1-3H3

InChI Key

LJSNUTRKDSSUON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.08

Polar Surface Area

56.293

Acid Dissociation Constant (pKa)

26.54

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J026-3417 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 J026-3417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3417?
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What is the minimum amount of J026-3417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3417
  • 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 J026-3417 available by request