J026-4457 Screening compound: N,N-diethyl-1,7-dimethyl-2,4-dioxo-3-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

J026-4457 Screening compound: N,N-diethyl-1,7-dimethyl-2,4-dioxo-3-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide
J026-4457 Screening compound: N,N-diethyl-1,7-dimethyl-2,4-dioxo-3-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4457
N,N-diethyl-1,7-dimethyl-2,4-dioxo-3-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-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

J026-4457

Molecular Formula

C25H31N5O4 (C25 H31 N5 O4)

Compound Name

N,N-diethyl-1,7-dimethyl-2,4-dioxo-3-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxamide

IUPAC name

NN-diethyl-17-dimethyl-24-dioxo-3-{[(246-trimethylphenyl)carbamoyl]methyl}-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxamide

SMILES

CCN(CC)C(c1cc(C)nc(N(C)C(N2CC(Nc3c(C)cc(C)cc3C)=O)=O)c1C2=O)=O

InChI

InChI=1S/C25H31N5O4/c1-8-29(9-2)23(32)18-12-17(6)26-22-20(18)24(33)30(25(34)28(22)7)13-19(31)27-21-15(4)10-14(3)11-16(21)5/h10-12H,8-9,13H2,1-7H3,(H,27,31)

InChI Key

BCZMHUWIWGWUDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.80

Polar Surface Area

78.695

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

J026-4457 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-4457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4457?
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What is the minimum amount of J026-4457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4457
  • 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 J026-4457 available by request