J026-3789 Screening compound: methyl 3-[(4-chlorophenyl)methyl]-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3789 Screening compound: methyl 3-[(4-chlorophenyl)methyl]-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3789 Screening compound: methyl 3-[(4-chlorophenyl)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 J026-3789
methyl 3-[(4-chlorophenyl)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

J026-3789

Molecular Formula

C18H16ClN3O4 (C18 H16 ClN3 O4)

Compound Name

methyl 3-[(4-chlorophenyl)methyl]-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

IUPAC name

methyl 3-[(4-chlorophenyl)methyl]-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc(cc1C(OC)=O)nc(N(C)C(N2Cc(cc3)ccc3Cl)=O)c1C2=O

InChI

InChI=1S/C18H16ClN3O4/c1-10-8-13(17(24)26-3)14-15(20-10)21(2)18(25)22(16(14)23)9-11-4-6-12(19)7-5-11/h4-8H,9H2,1-3H3

InChI Key

QKLDIBVGVNABDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11854604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.423

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-4.18

Polar Surface Area

62.183

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J026-3789 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • Proteases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with J026-3789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3789?
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What is the minimum amount of J026-3789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3789
  • 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 J026-3789 available by request