J026-3835 Screening compound: methyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate

J026-3835 Screening compound: methyl 3-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
J026-3835 Screening compound: methyl 3-{[(2H-1,3-benzodioxol-5-yl)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 J026-3835
methyl 3-{[(2H-1,3-benzodioxol-5-yl)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

J026-3835

Molecular Formula

C20H18N4O7 (C20 H18 N4 O7)

Compound Name

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

IUPAC name

methyl 3-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate

SMILES

Cc(cc1C(OC)=O)nc(N(C)C(N2CC(Nc(cc3)cc4c3OCO4)=O)=O)c1C2=O

InChI

InChI=1S/C20H18N4O7/c1-10-6-12(19(27)29-3)16-17(21-10)23(2)20(28)24(18(16)26)8-15(25)22-11-4-5-13-14(7-11)31-9-30-13/h4-7H,8-9H2,1-3H3,(H,22,25)

InChI Key

NGTIXMHNIGHCTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.068

Distribution Coefficient, logD

2.068

Water Solubility, LogSw

-3.16

Polar Surface Area

102.448

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J026-3835 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 J026-3835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J026-3835?
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What is the minimum amount of J026-3835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J026-3835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J026-3835
  • 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 J026-3835 available by request