J026-4028 Screening compound: methyl 3-[(4-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-4028 Screening compound: methyl 3-[(4-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-4028 Screening compound: methyl 3-[(4-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-4028
methyl 3-[(4-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-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

J026-4028

Molecular Formula

C20H18ClN3O4 (C20 H18 ClN3 O4)

Compound Name

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

IUPAC name

methyl 3-[(4-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

CN(c(nc(C1CC1)cc1C(OC)=O)c1C(N1Cc(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C20H18ClN3O4/c1-23-17-16(14(19(26)28-2)9-15(22-17)12-5-6-12)18(25)24(20(23)27)10-11-3-7-13(21)8-4-11/h3-4,7-9,12H,5-6,10H2,1-2H3

InChI Key

ZWXMDWGHFIODSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27219923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.91

Polar Surface Area

62.628

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

J026-4028 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-4028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-4028?
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What is the minimum amount of J026-4028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-4028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-4028
  • 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 J026-4028 available by request