J026-3684 Screening compound: ethyl 5-phenyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate

J026-3684 Screening compound: ethyl 5-phenyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate
J026-3684 Screening compound: ethyl 5-phenyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3684
ethyl 5-phenyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate

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

J026-3684

Molecular Formula

C25H24N4O5S (C25 H24 N4 O5 S)

Compound Name

ethyl 5-phenyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate

IUPAC name

ethyl 5-phenyl-2-(2-{157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CN(C(c2c(N3C)nc(C)cc2C)=O)C3=O)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C25H24N4O5S/c1-5-34-24(32)17-12-18(16-9-7-6-8-10-16)35-22(17)27-19(30)13-29-23(31)20-14(2)11-15(3)26-21(20)28(4)25(29)33/h6-12H,5,13H2,1-4H3,(H,27,30)

InChI Key

KJXRWYRXCPGXJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.34

Polar Surface Area

84.435

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

J026-3684 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with J026-3684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3684?
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What is the minimum amount of J026-3684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3684
  • 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 J026-3684 available by request