J026-3687 Screening compound: ethyl 4-ethyl-5-methyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate

J026-3687 Screening compound: ethyl 4-ethyl-5-methyl-2-(2-{1,5,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate
J026-3687 Screening compound: ethyl 4-ethyl-5-methyl-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 J026-3687
ethyl 4-ethyl-5-methyl-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

J026-3687

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

ethyl 4-ethyl-5-methyl-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 4-ethyl-5-methyl-2-(2-{157-trimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidin-3-yl}acetamido)thiophene-3-carboxylate

SMILES

CCc1c(C)sc(NC(CN(C(c2c(N3C)nc(C)cc2C)=O)C3=O)=O)c1C(OCC)=O

InChI

InChI=1S/C22H26N4O5S/c1-7-14-13(5)32-19(17(14)21(29)31-8-2)24-15(27)10-26-20(28)16-11(3)9-12(4)23-18(16)25(6)22(26)30/h9H,7-8,10H2,1-6H3,(H,24,27)

InChI Key

HYUJODPNPHJBQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.651

Distribution Coefficient, logD

1.935

Water Solubility, LogSw

-3.97

Polar Surface Area

84.707

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

J026-3687 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-3687 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J026-3687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3687
  • 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 J026-3687 available by request