J026-3778 Screening compound: methyl 1,7-dimethyl-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3778 Screening compound: methyl 1,7-dimethyl-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3778 Screening compound: methyl 1,7-dimethyl-3-({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J026-3778
methyl 1,7-dimethyl-3-({[3-(methylsulfanyl)phenyl]carbamoyl}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

J026-3778

Molecular Formula

C20H20N4O5S (C20 H20 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1C(OC)=O)nc(N(C)C(N2CC(Nc3cccc(SC)c3)=O)=O)c1C2=O

InChI

InChI=1S/C20H20N4O5S/c1-11-8-14(19(27)29-3)16-17(21-11)23(2)20(28)24(18(16)26)10-15(25)22-12-6-5-7-13(9-12)30-4/h5-9H,10H2,1-4H3,(H,22,25)

InChI Key

ZVRUTSHCHHMUJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

2.695

Water Solubility, LogSw

-3.09

Polar Surface Area

85.332

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J026-3778 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J026-3778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3778?
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What is the minimum amount of J026-3778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3778
  • 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 J026-3778 available by request