J026-3891 Screening compound: ethyl 3-{[ethyl(phenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3891 Screening compound: ethyl 3-{[ethyl(phenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3891 Screening compound: ethyl 3-{[ethyl(phenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3891
ethyl 3-{[ethyl(phenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-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

J026-3891

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

ethyl 3-{[ethyl(phenyl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 3-{[ethyl(phenyl)carbamoyl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CCN(C(CN(C(c1c(N2C)nc(C)cc1C(OCC)=O)=O)C2=O)=O)c1ccccc1

InChI

InChI=1S/C22H24N4O5/c1-5-25(15-10-8-7-9-11-15)17(27)13-26-20(28)18-16(21(29)31-6-2)12-14(3)23-19(18)24(4)22(26)30/h7-12H,5-6,13H2,1-4H3

InChI Key

NHXXYEZXSDXXKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.15

Polar Surface Area

76.854

Acid Dissociation Constant (pKa)

20.76

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

J026-3891 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 J026-3891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3891?
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What is the minimum amount of J026-3891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3891
  • 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 J026-3891 available by request